data_[Nb2Pd4Au2]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8719]
_cell_length_b [5.0034]
_cell_length_c [5.6133]
_cell_angle_alpha [90.3737]
_cell_angle_beta [102.8165]
_cell_angle_gamma [96.8574]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NbPd2Au]
_chemical_formula_sum '[Nb2 Pd4 Au2]'
_cell_volume [132.3906]
_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  2  0.2657  0.1319  0.6936  1.0
  Pd  Pd1  2  0.2373  0.1196  0.2025  1.0
  Pd  Pd2  2  0.2497  0.6360  0.4517  1.0
  Au  Au3  2  0.2561  0.6328  0.9464  1.0
]