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 [Cm]
_cell_length_a [9.2085]
_cell_length_b [4.2197]
_cell_length_c [5.6688]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5765]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NbVAu]
_chemical_formula_sum '[Nb4 V4 Au4]'
_cell_volume [196.9985]
_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  2  0.2903  0.0000  0.0031  1.0
  Nb  Nb1  2  0.4882  0.5000  0.3658  1.0
  V  V2  2  0.1058  0.5000  0.6734  1.0
  V  V3  2  0.3020  0.0000  0.5199  1.0
  Au  Au4  2  0.1410  0.5000  0.1892  1.0
  Au  Au5  2  0.4471  0.5000  0.8376  1.0
]