data_[Pt2Pb2S4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pt  2.2800  1.3500  0.8050
  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 [10.4057]
_cell_length_b [5.0594]
_cell_length_c [8.0795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.3355]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PtPb(SO4)2]
_chemical_formula_sum '[Pt2 Pb2 S4 O16]'
_cell_volume [374.3963]
_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
[
  Pt  Pt0  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb1  2  0.0000  0.0000  0.5000  1.0
  S  S2  4  0.1011  0.5000  0.2818  1.0
  O  O3  8  0.0029  0.2573  0.1954  1.0
  O  O4  4  0.1351  0.5000  0.4808  1.0
  O  O5  4  0.2256  0.5000  0.2458  1.0
]