data_[Nb2Pd8Au4]
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 [P1]
_cell_length_a [5.6706]
_cell_length_b [6.3835]
_cell_length_c [7.5270]
_cell_angle_alpha [114.9900]
_cell_angle_beta [100.2928]
_cell_angle_gamma [102.9551]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Nb(Pd2Au)2]
_chemical_formula_sum '[Nb2 Pd8 Au4]'
_cell_volume [228.8535]
_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  0.0373  0.0403  0.9640  1
  Nb  Nb1  1  0.4058  0.9050  0.5366  1
  Pd  Pd2  1  0.1238  0.6342  0.6751  1
  Pd  Pd3  1  0.1915  0.1848  0.3883  1
  Pd  Pd4  1  0.5460  0.0463  0.9558  1
  Pd  Pd5  1  0.6257  0.6395  0.6766  1
  Pd  Pd6  1  0.6991  0.1952  0.4046  1
  Pd  Pd7  1  0.7730  0.7743  0.0996  1
  Pd  Pd8  1  0.9147  0.9156  0.5417  1
  Pd  Pd9  1  0.9908  0.4838  0.2499  1
  Au  Au10  1  0.2787  0.7780  0.1113  1
  Au  Au11  1  0.3377  0.3398  0.8179  1
  Au  Au12  1  0.4886  0.4757  0.2539  1
  Au  Au13  1  0.8372  0.3375  0.8249  1
]