data_[Ni2Bi2Pb2]
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/m]
_cell_length_a [4.1307]
_cell_length_b [5.1398]
_cell_length_c [6.9451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9594]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NiBiPb]
_chemical_formula_sum '[Ni2 Bi2 Pb2]'
_cell_volume [146.6532]
_cell_formula_units_Z [2]
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  2  0.5000  0.0000  0.5000  1.0
  Bi  Bi1  2  0.0275  0.7500  0.6737  1.0
  Pb  Pb2  2  0.4261  0.7500  0.1501  1.0
]