data_5000094
_chemical_name_systematic          'Dialuminium triberyllium cyclo-hexasilicate'
_chemical_name_mineral             'Beryl'
loop_
_publ_author_name
  'Lee, J-S'
  'Lee, P-L'
  'Yu, S-C'
_journal_name_full
;
Journal of the Geological Society of China (Taiwan)
;
_journal_volume                    38
_journal_year                      1995
_journal_page_first                273
_journal_page_last                 286
_cell_length_a                     9.203(2)
_cell_length_b                     9.203(2)
_cell_length_c                     9.172(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       672.7
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 6/m c c'
_symmetry_Int_Tables_number        192
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  'x,y,-z'
  '-y,x-y,-z'
  'y-x,-x,-z'
  'y,x,1/2+z'
  'x-y,-y,1/2+z'
  '-x,y-x,1/2+z'
  'y,x,1/2-z'
  'x-y,-y,1/2-z'
  '-x,y-x,1/2-z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  '-x,-y,z'
  'y,y-x,z'
  'x-y,x,z'
  '-y,-x,1/2-z'
  'y-x,y,1/2-z'
  'x,x-y,1/2-z'
  '-y,-x,1/2+z'
  'y-x,y,1/2+z'
  'x,x-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Si4+   4.000
  Be2+   2.000
  Al3+   3.000
  O2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Si1   Si4+  12 l 0.3873(1) 0.1159(1) 0. 1.  0 d
  Be1   Be2+   6 f 0.5 0. 0.25 1.  0 d
  Al1   Al3+   4 c 0.6667 0.3333 0.25 1.  0 d
  O1    O2-   24 m 0.4988(1) 0.1456(1) 0.1452(1) 1.  0 d
  O2    O2-   12 l 0.3102(1) 0.2368(1) 0. 1.  0 d