data_[Nb8Pd8Pt6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [28.5879]
_cell_length_b [4.4670]
_cell_length_c [2.8078]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7660]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nb4Pd4Pt3]
_chemical_formula_sum '[Nb8 Pd8 Pt6]'
_cell_volume [357.7972]
_cell_formula_units_Z [2]
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  0.0537  0.5000  0.1265  1.0
  Nb  Nb1  4  0.1781  0.0000  0.2011  1.0
  Pd  Pd2  4  0.0921  0.0000  0.6446  1.0
  Pd  Pd3  4  0.2346  0.5000  0.2393  1.0
  Pt  Pt4  4  0.1452  0.5000  0.6749  1.0
  Pt  Pt5  2  0.0000  0.0000  0.5000  1.0
]