data_[Pt2Pb2F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.5002]
_cell_length_b [7.3261]
_cell_length_c [4.9755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8731]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PtPbF6]
_chemical_formula_sum '[Pt2 Pb2 F12]'
_cell_volume [230.0300]
_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
  Pb  Pb1  2  0.0000  0.5000  0.5000  1
  F  F2  8  0.1124  0.1791  0.2944  1
  F  F3  4  0.2066  0.5000  0.0446  1
]