data_global
_chemical_name_mineral 'Sodalite'
loop_
_publ_author_name
'Barth T'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 83 
_journal_year 1932
_journal_page_first 405
_journal_page_last 414
_publ_section_title
;
 The structures of the minerals of the sodalite family
 _cod_database_code 1011139
;
_database_code_amcsd 0018028
_chemical_formula_sum 'Na4 (Al3 Si3) O12 Cl'
_cell_length_a 8.89
_cell_length_b 8.89
_cell_length_c 8.89
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 702.595
_exptl_crystal_density_diffrn      2.291
_symmetry_space_group_name_H-M 'P -4 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-z,x,-y'
  '-y,z,-x'
  '-x,y,-z'
  'x,-z,-y'
  'z,-y,-x'
  'y,-x,-z'
  'x,z,y'
  'z,y,x'
  'y,x,z'
  '-z,-x,y'
  '-y,-z,x'
  '-x,-y,z'
  'z,-x,-y'
  'y,-z,-x'
  'x,-y,-z'
  '-x,z,-y'
  '-z,y,-x'
  '-y,x,-z'
  '-x,-z,y'
  '-z,-y,x'
  '-y,-x,z'
  'z,x,y'
  'y,z,x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Na1   0.17500   0.17500   0.17500   1.00000
Na2   0.67500   0.67500   0.67500   1.00000
Al1   0.25000   0.00000   0.50000   0.50000
Si1   0.25000   0.00000   0.50000   0.50000
O1   0.14700   0.14700   0.44500   1.00000
O2   0.66000   0.66000  -0.05600   1.00000
Cl1   0.00000   0.00000   0.00000   1.00000
Cl2   0.50000   0.50000   0.50000   1.00000