data_[Nb16Ru8Pt24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Ru  2.2000  1.3000  0.6610
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.2798]
_cell_length_b [6.7118]
_cell_length_c [19.9863]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Nb2RuPt3]
_chemical_formula_sum '[Nb16 Ru8 Pt24]'
_cell_volume [842.4026]
_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  8  0.2217  0.0000  0.0000  1
  Nb  Nb1  8  0.2500  0.2500  0.2500  1
  Ru  Ru2  8  0.0000  0.0000  0.3119  1
  Pt  Pt3  16  0.0000  0.2077  0.4268  1
  Pt  Pt4  8  0.0000  0.0000  0.1686  1
]