data_[Nb4Pt4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Pt  2.2800  1.3500  0.8050
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [13.2050]
_cell_length_b [3.1083]
_cell_length_c [5.9011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [NbPtPb]
_chemical_formula_sum '[Nb4 Pt4 Pb4]'
_cell_volume [242.2102]
_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
[
  Nb  Nb0  4  0.1513  0.0000  0.2848  1
  Pt  Pt1  2  0.0000  0.0000  0.5968  1
  Pt  Pt2  2  0.5000  0.0000  0.2882  1
  Pb  Pb3  4  0.3337  0.0000  0.6060  1
]