data_[Bi1Pt2Pb1]
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 [3.9698]
_cell_length_b [4.1758]
_cell_length_c [5.6480]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6652]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [BiPt2Pb]
_chemical_formula_sum '[Bi1 Pt2 Pb1]'
_cell_volume [89.6956]
_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  0.0281  0.5000  0.5863  1.0
  Pt  Pt1  1  0.2567  0.5000  0.1225  1.0
  Pt  Pt2  1  0.5038  0.0000  0.4675  1.0
  Pb  Pb3  1  0.7243  0.0000  0.0057  1.0
]