data_[Nb4Pd16Au2]
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 [C2/m]
_cell_length_a [14.3188]
_cell_length_b [3.9884]
_cell_length_c [6.4891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4965]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nb2Pd8Au]
_chemical_formula_sum '[Nb4 Pd16 Au2]'
_cell_volume [355.3257]
_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  4  0.2210  0.0000  0.6598  1.0
  Pd  Pd1  4  0.0455  0.0000  0.7250  1.0
  Pd  Pd2  4  0.0983  0.5000  0.4586  1.0
  Pd  Pd3  4  0.1456  0.0000  0.2016  1.0
  Pd  Pd4  4  0.1814  0.5000  0.9101  1.0
  Au  Au5  2  0.0000  0.5000  0.0000  1.0
]