data_[Pb6S2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9193]
_cell_length_b [7.4744]
_cell_length_c [8.3182]
_cell_angle_alpha [104.0807]
_cell_angle_beta [91.6384]
_cell_angle_gamma [91.9009]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pb3SO6]
_chemical_formula_sum '[Pb6 S2 O12]'
_cell_volume [356.5103]
_cell_formula_units_Z [2]
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
[
  Pb  Pb0  2  0.2246  0.7689  0.1574  1.0
  Pb  Pb1  2  0.2545  0.9242  0.6215  1.0
  Pb  Pb2  2  0.2598  0.3884  0.5854  1.0
  S  S3  2  0.2747  0.2967  0.1441  1.0
  O  O4  2  0.0103  0.1726  0.6213  1.0
  O  O5  2  0.1069  0.4486  0.1801  1.0
  O  O6  2  0.2233  0.1708  0.9796  1.0
  O  O7  2  0.2545  0.1900  0.2768  1.0
  O  O8  2  0.4918  0.8187  0.3791  1.0
  O  O9  2  0.4930  0.6172  0.8471  1.0
]