data_[Ni8Bi4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.2172]
_cell_length_b [8.2140]
_cell_length_c [5.4361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4923]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ni2BiPb]
_chemical_formula_sum '[Ni8 Bi4 Pb4]'
_cell_volume [303.7893]
_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
[
  Ni  Ni0  4  0.4223  0.2467  0.1493  1
  Ni  Ni1  2  0.0213  0.5000  0.4503  1
  Ni  Ni2  2  0.4725  0.5000  0.4476  1
  Bi  Bi3  4  0.2777  0.2378  0.5729  1
  Pb  Pb4  2  0.1341  0.0000  0.0137  1
  Pb  Pb5  2  0.1411  0.5000  0.0080  1
]