#------------------------------------------------------------------------------
#$Date: 2021-05-18 17:36:50 +0100 (Tue, 18 May 2021) $
#$Revision: 265307 $
#$URL: svn://www.crystallography.net/cod/cif/3/00/01/3000110.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_3000110
loop_
_publ_author_name
'Bubnova, Rimma'
'Volkov, Sergey'
'Barbara Albert'
'Filatov, Stanislav'
_publ_section_title
;
 Borates--Crystal Structures of Prospective Nonlinear Optical Materials:
 High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic
 Vibrations
;
_journal_issue                   3
_journal_name_full               Crystals
_journal_page_first              93
_journal_paper_doi               10.3390/cryst7030093
_journal_volume                  7
_journal_year                    2017
_chemical_formula_sum            'Al2 B2 K2 O7'
_chemical_formula_weight         265.8
_space_group_IT_number           150
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      150
_symmetry_space_group_name_Hall  'P 3 2"'
_symmetry_space_group_name_H-M   'P 3 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   8.5852(13)
_cell_length_b                   8.5852(13)
_cell_length_c                   8.4855(14)
_cell_measurement_temperature    173
_cell_volume                     541.64(15)
_diffrn_ambient_temperature      173
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'IPDS Stoe'
_diffrn_measurement_method       '??integration method??'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0408
_diffrn_reflns_av_unetI/netI     0.0172
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            5171
_diffrn_reflns_theta_full        29.31
_diffrn_reflns_theta_max         29.31
_diffrn_reflns_theta_min         2.4
_exptl_absorpt_coefficient_mu    1.55
_exptl_crystal_density_diffrn    2.4444
_exptl_crystal_F_000             390
_refine_diff_density_max         0.23
_refine_diff_density_min         -0.25
_refine_ls_abs_structure_details
'  402 of Friedel pairs used in the refinement'
_refine_ls_extinction_coef       2200(200)
_refine_ls_extinction_method
'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)'
_refine_ls_goodness_of_fit_gt    1.34
_refine_ls_goodness_of_fit_ref   1.31
_refine_ls_number_constraints    0
_refine_ls_number_parameters     63
_refine_ls_number_reflns         993
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0251
_refine_ls_R_factor_gt           0.0215
_refine_ls_shift/su_max          0.0050
_refine_ls_shift/su_mean         0.0008
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0001F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0224
_refine_ls_wR_factor_ref         0.0229
_reflns_number_gt                914
_reflns_number_total             993
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            K2Al2B2O7_173K.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according
to the built-in table from CIF Core dictionary named 'cif_core.dic'
version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 4624 2016-04-14 12:54:50Z antanas 

 Released structure into public domain as published material.

 Antanas Vaitkus,
 2021-05-18
;
_cod_original_sg_symbol_Hall     'P 3;2"'
_cod_database_code               3000110
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x-y,z
3 -x+y,-x,z
4 y,x,-z
5 x-y,-y,-z
6 -x,-x+y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_site_symmetry_multiplicity
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
K1 K 0.31053(10) 0 0 Uani 0.0131(2) 3 1 d . . .
K2 K 0.35789(9) 0 0.5 Uani 0.0130(2) 3 1 d . . .
Al1 Al 0 0 0.29834(16) Uani 0.0082(3) 2 1 d . . .
Al2 Al 0.333333 0.666667 0.18306(15) Uani 0.0072(3) 2 1 d . . .
Al3 Al 0.666667 0.333333 0.22287(15) Uani 0.0077(3) 2 1 d . . .
O1 O 0.1568(3) 0.2146(3) 0.2253(2) Uani 0.0135(8) 6 1 d . . .
O2 O 0.3999(3) 0.5162(3) 0.2523(2) Uani 0.0124(7) 6 1 d . . .
O3 O 0.4513(3) 0.2721(2) 0.2942(2) Uani 0.0118(7) 6 1 d . . .
O4 O 0 0 0.5 Uani 0.0231(13) 1 1 d . . .
O5 O 0.666667 0.333333 0.0198(4) Uani 0.0196(8) 2 1 d . . .
B1 B 0.3349(5) 0.3339(4) 0.2583(4) Uani 0.0086(11) 6 1 d . . .
loop_
_atom_site_aniso_label
_atom_site_aniso_type_symbol
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
K1 K 0.0128(3) 0.0118(3) 0.0144(4) 0.00588(17) 0.00170(14) 0.0034(3)
K2 K 0.0127(3) 0.0123(3) 0.0139(4) 0.00616(17) 0.00187(16) 0.0037(3)
Al1 Al 0.0073(4) 0.0073(4) 0.0101(6) 0.00363(19) 0 0
Al2 Al 0.0065(4) 0.0065(4) 0.0086(6) 0.0032(2) 0 0
Al3 Al 0.0065(4) 0.0065(4) 0.0101(6) 0.0033(2) 0 0
O1 O 0.0078(9) 0.0080(10) 0.0217(10) 0.0019(8) -0.0027(7) 0.0018(7)
O2 O 0.0100(8) 0.0075(9) 0.0204(8) 0.0049(8) -0.0031(7) 0.0007(7)
O3 O 0.0083(9) 0.0095(9) 0.0184(8) 0.0050(8) 0.0017(7) 0.0036(6)
O4 O 0.0294(17) 0.0294(17) 0.010(2) 0.0147(9) 0 0
O5 O 0.0235(11) 0.0235(11) 0.0116(12) 0.0118(5) 0 0
B1 B 0.0086(14) 0.0099(15) 0.0079(10) 0.0051(12) 0.0020(7) 0.0006(8)
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Al 0.0645 0.0514 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
B 0.0013 0.0007 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
K 0.2009 0.2494 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
O 0.0106 0.0060 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
Al1 O1 B1 . . . 133.5(2)
Al2 O2 B1 . . . 139.0(2)
Al3 O3 B1 . . . 131.70(17)
Al1 O4 Al1 . . 4_556 180.0(5)
Al2 O5 Al3 4_555 . . 180.0(5)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
O1 Al1 . . 1.764(2)
O1 B1 . . 1.378(4)
O2 Al2 . . 1.754(3)
O2 B1 . . 1.375(4)
O3 Al3 . . 1.758(2)
O3 B1 . . 1.379(5)
O4 Al1 . . 1.7112(14)
O4 Al1 . 4_556 1.7112(14)
O5 Al2 . 4_555 1.721(4)
O5 Al3 . . 1.723(4)
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_calc
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_observed_status
0 1 0 0.06 8.64 10.22 <
-1 2 0 1568.55 1522.49 16.90 o
1 1 0 1499.51 1657.28 17.40 o
0 2 0 9.55 13.53 9.50 <
-1 3 0 9.54 20.30 8.06 <
1 2 0 9.62 12.38 7.92 <
-2 4 0 8613.40 9330.60 30.99 o
2 2 0 8666.58 8832.56 23.91 o
-1 4 0 9.15 9.64 6.91 <
1 3 0 9.11 7.92 6.91 <
0 4 0 17.87 21.16 9.07 <
-2 5 0 16.84 20.01 7.20 <
2 3 0 16.58 18.43 7.20 <
-1 5 0 2977.65 2872.26 10.29 o
1 4 0 2897.87 2984.26 10.30 o
0 5 0 52.58 59.46 6.91 o
-3 6 0 15710.30 15725.70 34.07 o
3 3 0 15725.30 15840.30 33.90 o
-2 6 0 37.66 35.27 7.05 o
2 4 0 37.38 43.19 7.20 o
-1 6 0 12.64 5.04 7.05 <
1 5 0 12.49 16.99 7.48 <
0 6 0 7632.75 7601.09 12.89 o
-3 7 0 32.99 35.99 7.49 o
3 4 0 33.63 35.56 7.49 o
-2 7 0 492.98 552.96 8.23 o
2 5 0 523.64 454.50 8.08 o
-1 7 0 39.44 39.30 7.20 o
1 6 0 39.61 38.15 7.49 o
0 7 0 51.40 60.32 7.49 o
-4 8 0 61.43 51.54 12.81 o
4 4 0 52.34 58.45 12.53 o
-3 8 0 54.46 55.86 8.64 o
3 5 0 54.66 46.21 7.63 o
-2 8 0 61.67 68.39 7.92 o
2 6 0 61.38 58.45 8.06 o
-1 8 0 785.87 753.75 8.52 o
1 7 0 769.46 800.95 8.52 o
0 8 0 37.36 35.41 8.21 o
-4 9 0 54.77 48.23 9.21 o
4 5 0 54.31 46.93 9.21 o
-3 9 0 3476.61 3468.74 11.97 o
3 6 0 3467.40 3416.64 10.95 o
-2 9 0 65.17 52.55 9.21 o
2 7 0 65.34 60.47 8.64 o
-1 9 0 50.11 41.17 8.78 o
1 8 0 50.62 45.35 8.78 o
0 9 0 1710.59 1725.59 11.15 o
-5 10 0 668.48 673.58 14.72 o
5 5 0 675.94 681.04 14.86 o
-4 10 0 41.26 50.53 11.08 o
4 6 0 40.90 46.64 9.07 o
-3 10 0 41.59 42.90 9.79 o
3 7 0 41.65 41.31 10.22 o
-2 10 0 819.10 858.14 11.12 o
2 8 0 839.45 818.01 10.83 o
-1 10 0 89.24 83.07 10.37 o
1 9 0 89.42 90.42 10.65 o
0 10 0 59.55 46.50 11.52 o
-5 11 0 39.17 41.75 12.24 o
5 6 0 39.44 38.29 10.36 o
-4 11 0 616.20 576.91 12.12 o
4 7 0 601.74 643.76 11.97 o
-3 11 0 60.55 69.24 11.52 o
3 8 0 60.45 53.99 12.38 o
-2 11 0 65.95 63.34 12.24 o
2 9 0 66.08 61.62 12.24 o
0 0 1 46.39 76.14 14.13 o
-1 1 1 135.18 144.23 7.96 o
0 1 1 190.88 205.51 8.37 o
-2 2 1 1533.53 1641.70 9.71 o
-1 2 1 172.55 194.92 8.52 o
1 1 1 172.60 189.00 7.94 o
0 2 1 1426.13 1483.54 11.22 o
-3 3 1 3272.78 3627.58 11.27 o
-2 3 1 1086.70 1167.15 9.23 o
-3 2 1 1096.81 1119.90 8.50 o
-1 3 1 1291.03 1389.76 9.32 o
1 2 1 1307.80 1347.62 10.05 o
0 3 1 4338.65 4851.02 12.72 o
-4 4 1 25.37 24.18 6.48 o
-3 4 1 394.76 386.12 7.80 o
-4 3 1 384.83 408.59 6.65 o
-2 4 1 92.75 105.88 6.91 o
2 2 1 92.78 101.99 6.48 o
-1 4 1 401.46 387.79 7.22 o
1 3 1 393.21 401.59 7.37 o
0 4 1 10.88 14.40 6.62 <
-5 5 1 1314.29 1319.20 8.84 o
-4 5 1 1209.88 1275.35 8.99 o
-5 4 1 1213.12 1269.43 7.98 o
-3 5 1 1150.84 1133.95 7.99 o
-5 3 1 1144.95 1137.85 7.84 o
-2 5 1 1178.21 1176.67 8.13 o
2 3 1 1171.83 1151.68 7.98 o
-1 5 1 1128.60 1186.53 8.42 o
1 4 1 1124.99 1172.12 8.42 o
0 5 1 1110.73 1107.76 8.14 o
-6 6 1 235.30 216.07 8.78 o
-5 6 1 811.52 818.05 10.71 o
-6 5 1 814.44 807.71 7.67 o
-4 6 1 473.83 490.06 8.23 o
-6 4 1 483.50 465.32 6.93 o
-3 6 1 37.46 49.81 7.05 o
3 3 1 37.72 40.31 7.05 o
-2 6 1 462.47 472.53 7.65 o
2 4 1 471.56 450.53 7.51 o
-1 6 1 873.97 876.61 7.95 o
1 5 1 881.47 851.70 9.25 o
0 6 1 107.31 92.56 7.06 o
-7 7 1 61.32 68.96 8.06 o
-6 7 1 240.46 222.25 7.78 o
-7 6 1 230.67 249.93 7.78 o
-5 7 1 845.32 838.23 8.67 o
-7 5 1 842.43 828.25 7.80 o
-4 7 1 125.89 129.47 8.50 o
-7 4 1 125.58 125.30 7.49 o
-3 7 1 123.09 120.12 7.35 o
3 4 1 119.22 122.43 7.35 o
-2 7 1 772.58 757.94 8.24 o
2 5 1 775.55 745.95 8.10 o
-1 7 1 269.16 261.07 7.78 o
1 6 1 265.25 270.17 7.78 o
0 7 1 64.75 73.42 7.49 o
-8 8 1 707.22 687.33 9.38 o
-7 8 1 211.56 198.72 8.36 o
-8 7 1 212.61 211.27 8.36 o
-6 8 1 660.55 651.04 8.81 o
-8 6 1 658.42 673.47 8.23 o
-5 8 1 950.30 941.98 9.54 o
-8 5 1 949.21 943.03 7.95 o
-4 8 1 66.72 66.23 8.21 o
4 4 1 66.35 65.36 7.92 o
-3 8 1 963.49 974.40 8.38 o
3 5 1 958.85 920.22 8.67 o
-2 8 1 733.60 724.63 8.95 o
2 6 1 723.87 748.33 9.24 o
-1 8 1 363.04 346.76 8.50 o
1 7 1 361.35 349.35 8.50 o
0 8 1 673.21 696.35 9.09 o
-9 9 1 34.41 49.10 9.65 o
-8 9 1 481.98 468.45 9.52 o
-9 8 1 488.20 488.03 9.52 o
-7 9 1 392.85 400.07 9.08 o
-9 7 1 399.01 395.44 9.51 o
-6 9 1 208.40 204.00 9.65 o
-9 6 1 208.52 195.07 8.35 o
-5 9 1 342.02 336.80 10.24 o
-9 5 1 345.21 326.54 9.66 o
-4 9 1 380.39 400.51 8.94 o
4 5 1 392.25 377.58 8.94 o
-3 9 1 117.41 128.67 8.65 o
3 6 1 118.30 115.99 8.93 o
-2 9 1 350.29 374.99 9.23 o
2 7 1 354.74 339.65 8.94 o
-1 9 1 464.34 475.87 9.08 o
1 8 1 470.33 474.26 9.52 o
0 9 1 83.20 91.11 9.64 o
-10 10 1 93.91 96.46 12.09 o
-9 10 1 164.29 169.09 11.23 o
-10 9 1 160.89 168.37 10.51 o
-8 10 1 104.88 110.87 10.22 o
-10 8 1 107.49 124.83 10.22 o
-7 10 1 192.08 189.21 10.66 o
-10 7 1 189.49 185.18 9.79 o
-6 10 1 193.72 179.29 10.51 o
-10 6 1 186.92 200.90 10.37 o
-5 10 1 3.18 3.60 10.22 <
5 5 1 2.84 6.05 9.50 <
-4 10 1 169.66 170.83 10.66 o
4 6 1 168.71 172.56 9.94 o
-3 10 1 147.47 146.78 9.94 o
3 7 1 146.26 143.90 11.52 o
-2 10 1 104.35 113.17 10.65 o
2 8 1 101.79 109.86 10.37 o
-1 10 1 187.25 192.10 10.51 o
1 9 1 183.84 192.82 10.51 o
0 10 1 92.25 82.35 11.66 o
-9 11 1 265.54 267.18 14.41 o
-11 9 1 262.08 255.08 16.43 o
-8 11 1 372.69 374.53 11.96 o
-11 8 1 371.79 367.18 12.25 o
-7 11 1 89.09 81.47 11.80 o
-11 7 1 88.19 88.09 12.09 o
-6 11 1 452.54 415.15 12.11 o
-11 6 1 451.06 453.94 10.67 o
-5 11 1 445.64 429.45 13.84 o
5 6 1 441.84 453.39 11.10 o
-4 11 1 37.07 38.16 12.67 o
4 7 1 37.35 38.73 11.66 o
-3 11 1 361.25 376.15 11.96 o
3 8 1 361.45 358.85 11.53 o
-2 11 1 329.23 319.48 21.61 o
2 9 1 328.55 341.38 21.46 o
0 0 2 5247.02 5971.81 25.18 o
-1 1 2 243.07 256.27 7.52 o
0 1 2 242.15 248.62 8.09 o
-2 2 2 40.99 89.12 7.34 o
1 1 2 17413.80 15831.90 48.33 o
0 2 2 30.88 47.67 6.77 o
-3 3 2 3800.38 4010.49 10.08 o
-2 3 2 92.22 95.64 7.06 o
-3 2 2 90.66 101.54 5.33 o
-1 3 2 74.00 77.66 7.64 o
1 2 2 74.67 77.52 6.05 o
0 3 2 3326.65 3412.92 10.79 o
-4 4 2 54.13 56.76 6.05 o
-3 4 2 62.32 67.66 6.77 o
-4 3 2 64.13 57.30 5.76 o
-2 4 2 2093.88 1807.57 9.52 o
2 2 2 2064.58 1919.80 7.33 o
-1 4 2 39.38 49.69 6.48 o
1 3 2 38.10 39.17 6.63 o
0 4 2 95.46 94.15 7.05 o
-5 5 2 100.18 94.57 6.48 o
-4 5 2 5394.79 5405.83 11.82 o
-5 4 2 5430.62 5372.58 10.17 o
-3 5 2 55.73 55.04 7.78 o
-5 3 2 54.85 50.72 5.48 o
-2 5 2 119.71 115.88 6.91 o
2 3 2 120.06 119.04 6.62 o
-1 5 2 5604.58 5582.27 12.08 o
1 4 2 5625.08 5415.54 12.07 o
0 5 2 47.36 55.46 7.06 o
-6 6 2 8.31 10.51 6.77 <
-5 6 2 77.01 69.10 6.91 o
-6 5 2 76.74 76.58 6.62 o
-4 6 2 119.81 124.55 8.22 o
-6 4 2 118.43 113.45 6.20 o
-3 6 2 217.96 196.70 7.64 o
3 3 2 205.62 219.50 6.77 o
-2 6 2 204.85 210.07 7.34 o
2 4 2 207.30 197.26 7.20 o
-1 6 2 42.49 49.11 7.92 o
1 5 2 43.49 42.91 7.78 o
0 6 2 13.70 21.45 6.91 o
-7 7 2 25.80 23.33 8.06 <
-6 7 2 116.30 112.57 8.06 o
-7 6 2 113.81 112.57 7.34 o
-5 7 2 4010.43 3982.73 11.57 o
-7 5 2 4019.18 3941.78 9.96 o
-4 7 2 28.62 35.12 8.06 o
-7 4 2 29.00 26.06 6.19 o
-3 7 2 32.07 24.76 6.91 o
3 4 2 30.68 30.37 7.20 o
-2 7 2 3742.28 3718.59 10.73 o
2 5 2 3750.24 3532.92 10.43 o
-1 7 2 60.31 69.14 7.35 o
1 6 2 62.69 58.77 7.92 o
0 7 2 59.97 59.16 7.92 o
-8 8 2 51.45 55.87 8.35 o
-7 8 2 594.22 614.30 8.80 o
-8 7 2 597.29 597.66 8.80 o
-6 8 2 42.84 50.23 10.51 o
-8 6 2 42.65 40.16 7.34 o
-5 8 2 75.91 70.82 9.36 o
-8 5 2 77.31 75.86 7.05 o
-4 8 2 2334.56 2361.24 10.91 o
4 4 2 2315.02 2378.44 9.02 o
-3 8 2 39.79 40.61 7.78 o
3 5 2 38.08 32.97 7.63 o
-2 8 2 22.48 28.36 8.93 o
2 6 2 23.05 30.81 8.78 o
-1 8 2 603.69 618.98 8.51 o
1 7 2 613.28 604.09 8.22 o
0 8 2 93.22 88.09 8.06 o
-9 9 2 3.28 16.70 9.50 <
-8 9 2 98.27 102.51 9.21 o
-9 8 2 101.99 102.22 9.36 o
-7 9 2 70.71 78.32 9.21 o
-9 7 2 72.77 74.00 8.64 o
-6 9 2 57.12 79.03 9.21 o
-9 6 2 63.66 66.51 7.49 o
-5 9 2 51.59 60.46 10.22 o
-9 5 2 49.95 52.55 9.50 o
-4 9 2 52.91 70.25 9.93 o
4 5 2 54.92 56.00 8.35 o
-3 9 2 49.29 58.02 8.49 o
3 6 2 52.93 45.49 8.49 o
-2 9 2 80.01 77.89 8.49 o
2 7 2 77.70 79.18 8.64 o
-1 9 2 91.70 97.62 8.93 o
1 8 2 87.21 96.47 8.93 o
0 9 2 6.60 14.68 9.79 <
-10 10 2 74.26 74.71 11.37 o
-9 10 2 49.87 43.33 10.65 o
-10 9 2 48.04 51.68 10.65 o
-8 10 2 1358.23 1323.03 12.44 o
-10 8 2 1350.32 1397.89 13.60 o
-7 10 2 46.78 49.25 10.80 o
-10 7 2 47.04 48.10 8.78 o
-6 10 2 62.69 47.95 10.51 o
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loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
_twin_individual_twin_matrix_11
_twin_individual_twin_matrix_12
_twin_individual_twin_matrix_13
_twin_individual_twin_matrix_21
_twin_individual_twin_matrix_22
_twin_individual_twin_matrix_23
_twin_individual_twin_matrix_31
_twin_individual_twin_matrix_32
_twin_individual_twin_matrix_33
1 0.722(2) 1 0 0 0 1 0 0 0 1
2 0.278(2) -1 0 0 0 -1 0 0 0 1