data_[P4Pt16Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  Pt  2.2800  1.3500  0.8050
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.6946]
_cell_length_b [6.3809]
_cell_length_c [5.3561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.1471]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PPt4Pb]
_chemical_formula_sum '[P4 Pt16 Pb4]'
_cell_volume [433.2120]
_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
[
  P  P0  4  0.2500  0.2500  0.5000  1.0
  Pt  Pt1  8  0.0965  0.4264  0.3785  1.0
  Pt  Pt2  8  0.1915  0.0884  0.1229  1.0
  Pb  Pb3  4  0.0000  0.1632  0.7500  1.0
]