data_[Nb12Rh12Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Rh  2.2800  1.3500  0.7450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [7.8232]
_cell_length_b [7.8232]
_cell_length_c [7.8232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [198]
_chemical_formula_structural [Nb3Rh3Au]
_chemical_formula_sum '[Nb12 Rh12 Au4]'
_cell_volume [478.8018]
_cell_formula_units_Z [4]
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  0.1220  0.3780  0.6220  1
  Nb  Nb1  4  0.1481  0.8519  0.3519  1
  Nb  Nb2  4  0.2178  0.2178  0.2178  1
  Rh  Rh3  12  0.0181  0.1895  0.9016  1
  Au  Au4  4  0.0613  0.5613  0.9387  1
]