data_[Nb1Ni8Pt3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Ni  1.9100  1.3500  0.7400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.7511]
_cell_length_b [4.7511]
_cell_length_c [7.6872]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [NbNi8Pt3]
_chemical_formula_sum '[Nb1 Ni8 Pt3]'
_cell_volume [150.2757]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5673  1
  Ni  Ni1  3  0.1641  0.3282  0.2490  1
  Ni  Ni2  3  0.5027  0.0055  0.7495  1
  Ni  Ni3  1  0.3333  0.6667  0.4985  1
  Ni  Ni4  1  0.3333  0.6667  0.9970  1
  Pt  Pt5  1  0.0000  0.0000  0.9347  1
  Pt  Pt6  1  0.6667  0.3333  0.0638  1
  Pt  Pt7  1  0.6667  0.3333  0.4432  1
]