data_[Ni4Bi4Pb4]
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 [P2_1/c]
_cell_length_a [6.7492]
_cell_length_b [5.9124]
_cell_length_c [7.4438]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8060]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NiBiPb]
_chemical_formula_sum '[Ni4 Bi4 Pb4]'
_cell_volume [296.8862]
_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  0.2588  0.0004  0.8724  1.0
  Bi  Bi1  4  0.4270  0.7217  0.1084  1.0
  Pb  Pb2  4  0.0790  0.2410  0.1263  1.0
]