data_[Nb3V8Au1]
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 [P3m1]
_cell_length_a [5.0633]
_cell_length_b [5.0633]
_cell_length_c [8.1881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Nb3V8Au]
_chemical_formula_sum '[Nb3 V8 Au1]'
_cell_volume [181.7954]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.0608  1.0
  Nb  Nb1  1  0.6667  0.3333  0.5631  1.0
  Nb  Nb2  1  0.6667  0.3333  0.9376  1.0
  V  V3  3  0.1664  0.3328  0.7482  1.0
  V  V4  3  0.5037  0.0075  0.2501  1.0
  V  V5  1  0.3333  0.6667  0.0028  1.0
  V  V6  1  0.3333  0.6667  0.5025  1.0
  Au  Au7  1  0.0000  0.0000  0.4385  1.0
]