data_[Nb4V4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3948]
_cell_length_b [3.2995]
_cell_length_c [6.1029]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3016]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NbVAu]
_chemical_formula_sum '[Nb4 V4 Au4]'
_cell_volume [200.9020]
_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  0.1547  0.0000  0.0858  1.0
  V  V1  4  0.0071  0.5000  0.7726  1.0
  Au  Au2  4  0.1570  0.0000  0.5784  1.0
]