data_global
_chemical_name_mineral 'Sodalite'
loop_
_publ_author_name
'Hassan I'
'Grundy H'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 40 
_journal_year 1984
_journal_page_first 6
_journal_page_last 13
_publ_section_title
;
 The crystal structures of sodalite-group minerals
 _cod_database_code 1000028
;
_database_code_amcsd 0009790
_chemical_formula_sum 'Na4 Al3 Si3 O12 Cl'
_cell_length_a 8.875
_cell_length_b 8.875
_cell_length_c 8.875
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 699.045
_exptl_crystal_density_diffrn      2.302
_symmetry_space_group_name_H-M 'P -4 3 n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-z,x,-y'
  '-y,z,-x'
  '-x,y,-z'
  '1/2+x,1/2-z,1/2-y'
  '1/2+z,1/2-y,1/2-x'
  '1/2+y,1/2-x,1/2-z'
  '1/2+x,1/2+z,1/2+y'
  '1/2+z,1/2+y,1/2+x'
  '1/2+y,1/2+x,1/2+z'
  '-z,-x,y'
  '-y,-z,x'
  '-x,-y,z'
  'z,-x,-y'
  'y,-z,-x'
  'x,-y,-z'
  '1/2-x,1/2+z,1/2-y'
  '1/2-z,1/2+y,1/2-x'
  '1/2-y,1/2+x,1/2-z'
  '1/2-x,1/2-z,1/2+y'
  '1/2-z,1/2-y,1/2+x'
  '1/2-y,1/2-x,1/2+z'
  'z,x,y'
  'y,z,x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Na   0.17770   0.17770   0.17770
Al   0.25000   0.00000   0.50000
Si   0.25000   0.50000   0.00000
O   0.13870   0.14840   0.43750
Cl   0.00000   0.00000   0.00000