data_SbOsSO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   4.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbOsSO2
_chemical_formula_sum   'Sb1 Os1 S1 O2'
_cell_volume   89.13
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sb  Sb1  1  0.55  0.5  0.5  1.0
  Os  Os0  1  0.33  0.0  0.0  1.0
  S  S2  1  0.22  0.0  0.5  1.0
  O  O3  1  0.41  0.5  0.0  1.0
  O  O4  1  0.98  0.5  0.5  1.0

data_SbOsSO2
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   4.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   SbOsSO2
_chemical_formula_sum   'Sb1 Os1 S1 O2'
_cell_volume   89.13
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sb  Sb0  1  0.5  0.5  0.55  1.0
  Os  Os1  1  0.0  0.0  0.33  1.0
  S  S2  1  0.0  0.5  0.22  1.0
  O  O3  1  0.5  0.0  0.41  1.0
  O  O4  1  0.5  0.5  0.98  1.0

Sb Os S O O