data_global
_chemical_name_mineral 'Hauyne'
loop_
_publ_author_name
'Machatschki F'
_journal_name_full 'Zentralblatt fur Mineralogie und Geologie,'
_journal_volume A1934 
_journal_year 1934
_journal_page_first 136
_journal_page_last 144
_publ_section_title
;
 Kristallstruktur von Hauyn und Nosean
 _cod_database_code 1011244
;
_database_code_amcsd 0018109
_chemical_formula_sum '(Na3 Ca) Al3 Si3 S O16'
_cell_length_a 9.1
_cell_length_b 9.1
_cell_length_c 9.1
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 753.571
_exptl_crystal_density_diffrn      2.478
_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
_atom_site_occupancy
Na1   0.22200   0.22200   0.22200   0.75000
Ca1   0.22200   0.22200   0.22200   0.25000
Al1   0.50000   0.00000   0.25000   1.00000
Si1   0.00000   0.50000   0.25000   1.00000
S1   0.00000   0.00000   0.00000   1.00000
O1   0.90000   0.90000   0.90000   1.00000
O2   0.13600   0.47500   0.14700   1.00000