data_[Ni4Sn4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1470]
_cell_length_b [4.2458]
_cell_length_c [5.2959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6326]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NiSnPb]
_chemical_formula_sum '[Ni4 Sn4 Pb4]'
_cell_volume [265.4376]
_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  0.2145  0.0000  0.3576  1
  Sn  Sn1  4  0.0811  0.5000  0.3024  1
  Pb  Pb2  4  0.1494  0.0000  0.8238  1
]