data_1010911
_chemical_name_systematic          'Dicalcium sodium dimagnesium arsenate'
_chemical_name_mineral             'Berzeliite'
_chemical_formula_structural       'Ca2 Na Mg2 (As O4)3'
_chemical_formula_sum              'As3 Ca2 Mg2 Na O12'
_publ_section_title
;
Die Kristallstruktur des Berzeliit (Ca, Na)3 (Mg, Mn)2 (As O4)3
;
loop_
_publ_author_name
  'Bubeck, W'
  'Machatschki, F'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    90
_journal_year                      1935
_journal_page_first                44
_journal_page_last                 50
_cell_length_a                     12.35
_cell_length_b                     12.35
_cell_length_c                     12.35
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       1883.7
_cell_formula_units_Z              8
_symmetry_space_group_name_H-M     'I a -3 d'
_symmetry_Int_Tables_number        230
_symmetry_cell_setting             cubic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,-z'
  '-x,1/2+y,1/2-z'
  '1/2-x,-y,1/2+z'
  'y,z,x'
  '1/2-y,-z,1/2+x'
  '1/2+y,1/2-z,-x'
  '-y,1/2+z,1/2-x'
  'z,x,y'
  '-z,1/2+x,1/2-y'
  '1/2-z,-x,1/2+y'
  '1/2+z,1/2-x,-y'
  '-x,-y,-z'
  '1/2-x,1/2+y,z'
  'x,1/2-y,1/2+z'
  '1/2+x,y,1/2-z'
  '-y,-z,-x'
  '1/2+y,z,1/2-x'
  '1/2-y,1/2+z,x'
  'y,1/2-z,1/2+x'
  '-z,-x,-y'
  'z,1/2-x,1/2+y'
  '1/2+z,x,1/2-y'
  '1/2-z,1/2+x,y'
  '1/4+x,1/4+z,1/4+y'
  '3/4+x,1/4-z,3/4-y'
  '1/4-x,3/4-z,3/4+y'
  '3/4-x,3/4+z,1/4-y'
  '1/4+y,1/4+x,1/4+z'
  '3/4-y,3/4+x,1/4-z'
  '3/4+y,1/4-x,3/4-z'
  '1/4-y,3/4-x,3/4+z'
  '1/4+z,1/4+y,1/4+x'
  '1/4-z,3/4-y,3/4+x'
  '3/4-z,3/4+y,1/4-x'
  '3/4+z,1/4-y,3/4-x'
  '1/4-x,1/4-z,1/4-y'
  '3/4-x,1/4+z,3/4+y'
  '1/4+x,3/4+z,3/4-y'
  '3/4+x,3/4-z,1/4+y'
  '1/4-y,1/4-x,1/4-z'
  '3/4+y,3/4-x,1/4+z'
  '3/4-y,1/4+x,3/4+z'
  '1/4+y,3/4+x,3/4-z'
  '1/4-z,1/4-y,1/4-x'
  '1/4+z,3/4+y,3/4-x'
  '3/4+z,3/4-y,1/4+x'
  '3/4-z,1/4+y,3/4+x'
  '1/2+x,1/2+y,1/2+z'
  'x,-y,1/2-z'
  '1/2-x,y,-z'
  '-x,1/2-y,z'
  '1/2+y,1/2+z,1/2+x'
  '-y,1/2-z,x'
  'y,-z,1/2-x'
  '1/2-y,z,-x'
  '1/2+z,1/2+x,1/2+y'
  '1/2-z,x,-y'
  '-z,1/2-x,y'
  'z,-x,1/2-y'
  '1/2-x,1/2-y,1/2-z'
  '-x,y,1/2+z'
  '1/2+x,-y,z'
  'x,1/2+y,-z'
  '1/2-y,1/2-z,1/2-x'
  'y,1/2+z,-x'
  '-y,z,1/2+x'
  '1/2+y,-z,x'
  '1/2-z,1/2-x,1/2-y'
  '1/2+z,-x,y'
  'z,1/2+x,-y'
  '-z,x,1/2+y'
  '3/4+x,3/4+z,3/4+y'
  '1/4+x,3/4-z,1/4-y'
  '3/4-x,1/4-z,1/4+y'
  '1/4-x,1/4+z,3/4-y'
  '3/4+y,3/4+x,3/4+z'
  '1/4-y,1/4+x,3/4-z'
  '1/4+y,3/4-x,1/4-z'
  '3/4-y,1/4-x,1/4+z'
  '3/4+z,3/4+y,3/4+x'
  '3/4-z,1/4-y,1/4+x'
  '1/4-z,1/4+y,3/4-x'
  '1/4+z,3/4-y,1/4-x'
  '3/4-x,3/4-z,3/4-y'
  '1/4-x,3/4+z,1/4+y'
  '3/4+x,1/4+z,1/4-y'
  '1/4+x,1/4-z,3/4+y'
  '3/4-y,3/4-x,3/4-z'
  '1/4+y,1/4-x,3/4+z'
  '1/4-y,3/4+x,1/4+z'
  '3/4+y,1/4+x,1/4-z'
  '3/4-z,3/4-y,3/4-x'
  '3/4+z,1/4+y,1/4-x'
  '1/4+z,1/4-y,3/4+x'
  '1/4-z,3/4+y,1/4+x'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ca2+   2.000
  Na1+   1.000
  As5+   5.000
  Mg2+   2.000
  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
  Ca1   Ca2+  24 c 0.25 0.125 0. 0.667  0 d
  Na1   Na1+  24 c 0.25 0.125 0. 0.333  0 d
  As1   As5+  24 d 0.25 0.375 0. 1.  0 d
  Mg1   Mg2+  16 a 0. 0. 0. 1.  0 d
  O1    O2-   96 h -0.0417(28) 0.0528(28) 0.1556(28) 1.  0 d