data_global
_chemical_name_mineral 'Yeelimite'
loop_
_publ_author_name
'Saalfeld H'
'Depmeier W'
_journal_name_full 'Kristall und Technik'
_journal_volume 7 
_journal_year 1972
_journal_page_first 229
_journal_page_last 233
_publ_section_title
;
 Silicon-free compounds with sodalite structure
 Note: Very short S-O bondlength of 1.26 angstroms
;
_database_code_amcsd 0014178
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ca4 Al6 S O16'
_cell_length_a 9.205
_cell_length_b 9.205
_cell_length_c 9.205
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 779.958
_exptl_crystal_density_diffrn      2.598
_symmetry_space_group_name_H-M 'I -4 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '-z,x,-y'
  '1/2-z,1/2+x,1/2-y'
  '-y,z,-x'
  '1/2-y,1/2+z,1/2-x'
  '-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  'x,-z,-y'
  '1/2+x,1/2-z,1/2-y'
  'z,-y,-x'
  '1/2+z,1/2-y,1/2-x'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  'x,z,y'
  '1/2+x,1/2+z,1/2+y'
  'z,y,x'
  '1/2+z,1/2+y,1/2+x'
  'y,x,z'
  '1/2+y,1/2+x,1/2+z'
  '-z,-x,y'
  '1/2-z,1/2-x,1/2+y'
  '-y,-z,x'
  '1/2-y,1/2-z,1/2+x'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  'z,-x,-y'
  '1/2+z,1/2-x,1/2-y'
  'y,-z,-x'
  '1/2+y,1/2-z,1/2-x'
  'x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  '-x,z,-y'
  '1/2-x,1/2+z,1/2-y'
  '-z,y,-x'
  '1/2-z,1/2+y,1/2-x'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  '-x,-z,y'
  '1/2-x,1/2-z,1/2+y'
  '-z,-y,x'
  '1/2-z,1/2-y,1/2+x'
  '-y,-x,z'
  '1/2-y,1/2-x,1/2+z'
  'z,x,y'
  '1/2+z,1/2+x,1/2+y'
  'y,z,x'
  '1/2+y,1/2+z,1/2+x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca1   0.17000   0.17000   0.17000   0.50000
Ca2   0.24100   0.24100   0.24100   0.50000
Al   0.25000   0.50000   0.00000   1.00000
S   0.00000   0.00000   0.00000   1.00000
O1   0.16300   0.16300   0.44400   1.00000
O2  -0.07900  -0.07900  -0.07900   1.00000