data_[Nb4Rh2Au2]
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_1/m]
_cell_length_a [6.7661]
_cell_length_b [3.3606]
_cell_length_c [6.9767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.9498]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nb2RhAu]
_chemical_formula_sum '[Nb4 Rh2 Au2]'
_cell_volume [138.8133]
_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  2  0.0670  0.7500  0.8585  1.0
  Nb  Nb1  2  0.4607  0.2500  0.1457  1.0
  Rh  Rh2  2  0.1936  0.2500  0.6418  1.0
  Au  Au3  2  0.3051  0.7500  0.3695  1.0
]