data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a         6.7572000000
_cell_length_b        11.4866000000
_cell_length_c         5.5994000000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma        90.0000
_cell_volume           434.610049
_space_group_crystal_system orthorhombic
_space_group_IT_number 20
_space_group_name_H-M_alt 'C222_1'
_space_group_name_Hall 'C 2c 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,-1/2+z'
  'x,-y,-z'
  '-x,y,-1/2-z'
  '-1/2+x,-1/2+y,z'
  '-1/2-x,-1/2-y,-1/2+z'
  '-1/2+x,-1/2-y,-z'
  '-1/2-x,-1/2+y,-1/2-z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba     Ba     0.00000000000000     0.33630000000000     0.25000000000000
V      V      0.98800000000000     0.00000000000000     0.00000000000000
S      S      0.00000000000000     0.83030000000000     0.25000000000000
S      S      0.24420000000000     0.08350000000000     0.26130000000000
