data_[Bi8Pt8Pb16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Pt  2.2800  1.3500  0.8050
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [8.5384]
_cell_length_b [15.5443]
_cell_length_c [7.0115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [BiPtPb2]
_chemical_formula_sum '[Bi8 Pt8 Pb16]'
_cell_volume [930.5923]
_cell_formula_units_Z [8]
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
[
  Bi  Bi0  8  0.2021  0.0000  0.5000  1.0
  Pt  Pt1  8  0.0000  0.0597  0.8226  1.0
  Pb  Pb2  8  0.0000  0.1381  0.1909  1.0
  Pb  Pb3  8  0.2500  0.1854  0.7500  1.0
]