data_[Ni12Sb4Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [12.1997]
_cell_length_b [7.0008]
_cell_length_c [5.1688]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ni3SbPb2]
_chemical_formula_sum '[Ni12 Sb4 Pb8]'
_cell_volume [441.4528]
_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  8  0.1520  0.0000  0.0000  1.0
  Ni  Ni1  4  0.0000  0.5000  0.0000  1.0
  Sb  Sb2  4  0.0000  0.1771  0.7500  1.0
  Pb  Pb3  8  0.1718  0.3380  0.2500  1.0
]