data_[Nb40Ir24Pt96]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Ir  2.2000  1.3500  0.7650
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [14.8914]
_cell_length_b [14.8914]
_cell_length_c [14.8914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Nb5(IrPt4)3]
_chemical_formula_sum '[Nb40 Ir24 Pt96]'
_cell_volume [3302.2550]
_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  24  0.0000  0.2500  0.3750  1
  Nb  Nb1  16  0.0000  0.0000  0.0000  1
  Ir  Ir2  24  0.0000  0.2500  0.1250  1
  Pt  Pt3  96  0.0146  0.0783  0.6540  1
]