data_[Pb8S4O20]
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 [C2/m]
_cell_length_a [13.9686]
_cell_length_b [5.8108]
_cell_length_c [7.1837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8869]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pb2SO5]
_chemical_formula_sum '[Pb8 S4 O20]'
_cell_volume [528.9492]
_cell_formula_units_Z [4]
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  4  0.0252  0.5000  0.2689  1.0
  Pb  Pb1  4  0.1456  0.0000  0.1010  1.0
  S  S2  4  0.1724  0.0000  0.6570  1.0
  O  O3  8  0.1464  0.2098  0.7477  1.0
  O  O4  4  0.0000  0.2526  0.0000  1.0
  O  O5  4  0.1109  0.0000  0.4293  1.0
  O  O6  4  0.2113  0.5000  0.2876  1.0
]