data_[Bi3Pt2Pb1]
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 [Pm]
_cell_length_a [5.7276]
_cell_length_b [4.1469]
_cell_length_c [6.9172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5177]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Bi3Pt2Pb]
_chemical_formula_sum '[Bi3 Pt2 Pb1]'
_cell_volume [164.2925]
_cell_formula_units_Z [1]
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  1  0.2139  0.0000  0.3623  1.0
  Bi  Bi1  1  0.2860  0.5000  0.8619  1.0
  Bi  Bi2  1  0.7851  0.0000  0.6371  1.0
  Pt  Pt3  1  0.0025  0.0000  0.9983  1.0
  Pt  Pt4  1  0.4981  0.5000  0.5006  1.0
  Pb  Pb5  1  0.7143  0.5000  0.1397  1.0
]