data_[Nb1Pd5Au4]
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 [P4/mmm]
_cell_length_a [3.3679]
_cell_length_b [3.3679]
_cell_length_c [14.8497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [NbPd5Au4]
_chemical_formula_sum '[Nb1 Pd5 Au4]'
_cell_volume [168.4333]
_cell_formula_units_Z [1]
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  0.0000  0.0000  1.0
  Pd  Pd1  2  0.5000  0.5000  0.0944  1.0
  Pd  Pd2  2  0.5000  0.5000  0.2970  1.0
  Pd  Pd3  1  0.5000  0.5000  0.5000  1.0
  Au  Au4  2  0.0000  0.0000  0.1962  1.0
  Au  Au5  2  0.0000  0.0000  0.3993  1.0
]