data_SrPbSO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrPbSO2
_chemical_formula_sum   'Sr1 Pb1 S1 O2'
_cell_volume   113.76
_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
  Sr  Sr1  1  0.81  0.5  0.5  1.0
  Pb  Pb0  1  0.08  0.0  0.0  1.0
  S  S2  1  0.35  0.0  0.5  1.0
  O  O3  1  0.91  0.5  0.0  1.0
  O  O4  1  0.32  0.5  0.5  1.0

data_SrPbSO2
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   SrPbSO2
_chemical_formula_sum   'Sr1 Pb1 S1 O2'
_cell_volume   113.76
_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
  Sr  Sr0  1  0.5  0.5  0.81  1.0
  Pb  Pb1  1  0.0  0.0  0.08  1.0
  S  S2  1  0.0  0.5  0.35  1.0
  O  O3  1  0.5  0.0  0.91  1.0
  O  O4  1  0.5  0.5  0.32  1.0

Sr Pb S O O