data_[Nb8Pt8]
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
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.7742]
_cell_length_b [4.4457]
_cell_length_c [5.6617]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NbPt]
_chemical_formula_sum '[Nb8 Pt8]'
_cell_volume [271.1913]
_cell_formula_units_Z [8]
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  0.0560  0.2500  0.3917  1.0
  Nb  Nb1  4  0.1758  0.7500  0.1447  1.0
  Pt  Pt2  4  0.0786  0.2500  0.8865  1.0
  Pt  Pt3  4  0.1911  0.7500  0.6436  1.0
]