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 [Pmm2]
_cell_length_a [4.7243]
_cell_length_b [5.5702]
_cell_length_c [4.9818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [NbPd2Au]
_chemical_formula_sum '[Nb2 Pd4 Au2]'
_cell_volume [131.0976]
_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  0.0000  0.5000  0.5936  1
  Nb  Nb1  1  0.5000  0.0000  0.2959  1
  Pd  Pd2  2  0.0000  0.2494  0.1144  1
  Pd  Pd3  1  0.0000  0.0000  0.6013  1
  Pd  Pd4  1  0.5000  0.5000  0.3013  1
  Au  Au5  2  0.5000  0.2515  0.7953  1
]