data_[Nb2Pd4Pt8]
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 [P1]
_cell_length_a [5.6564]
_cell_length_b [6.2550]
_cell_length_c [6.9112]
_cell_angle_alpha [68.8931]
_cell_angle_beta [89.8542]
_cell_angle_gamma [77.1459]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Nb(PdPt2)2]
_chemical_formula_sum '[Nb2 Pd4 Pt8]'
_cell_volume [221.5897]
_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  1  0.0862  0.1319  0.0389  1.0
  Nb  Nb1  1  0.6657  0.8295  0.4595  1.0
  Pd  Pd2  1  0.3034  0.2659  0.3227  1.0
  Pd  Pd3  1  0.3756  0.9824  0.7470  1.0
  Pd  Pd4  1  0.5192  0.4173  0.6046  1.0
  Pd  Pd5  1  0.8052  0.2575  0.3262  1.0
  Pt  Pt6  1  0.0149  0.4108  0.6088  1.0
  Pt  Pt7  1  0.1637  0.8409  0.4597  1.0
  Pt  Pt8  1  0.2320  0.5418  0.8975  1.0
  Pt  Pt9  1  0.4432  0.7052  0.1757  1.0
  Pt  Pt10  1  0.5879  0.1260  0.0384  1.0
  Pt  Pt11  1  0.7315  0.5525  0.8955  1.0
  Pt  Pt12  1  0.8791  0.9784  0.7493  1.0
  Pt  Pt13  1  0.9426  0.7099  0.1761  1.0
]