data_[Nb6Pt6]
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 [Pmma]
_cell_length_a [14.0146]
_cell_length_b [2.8180]
_cell_length_c [5.0315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [NbPt]
_chemical_formula_sum '[Nb6 Pt6]'
_cell_volume [198.7129]
_cell_formula_units_Z [6]
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  0.0816  0.0000  0.6567  1.0
  Nb  Nb1  2  0.2500  0.0000  0.9937  1.0
  Pt  Pt2  4  0.0841  0.5000  0.1589  1.0
  Pt  Pt3  2  0.2500  0.5000  0.4972  1.0
]