data_V3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   5.49
_cell_length_c   4.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V3Au
_chemical_formula_sum   'V6 Au2'
_cell_volume   117.85
_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
  V  V2  1  0.0  0.0  0.32  1.0
  V  V3  1  0.24  0.4  0.11  1.0
  V  V4  1  0.0  0.34  0.68  1.0
  V  V5  1  0.24  0.74  0.47  1.0
  V  V6  1  0.24  0.09  0.11  1.0
  V  V7  1  0.0  0.14  0.68  1.0
  Au  Au0  1  0.24  0.0  0.69  1.0
  Au  Au1  1  0.0  0.74  0.11  1.0

data_V3Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.49
_cell_length_b   4.79
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V3Au
_chemical_formula_sum   'V6 Au2'
_cell_volume   117.85
_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
  V  V0  1  0.0  0.32  0.66  1.0
  V  V1  1  0.0  0.32  0.86  1.0
  V  V2  1  0.0  0.68  0.0  1.0
  V  V3  1  0.76  0.53  0.26  1.0
  V  V4  1  0.76  0.89  0.6  1.0
  V  V5  1  0.76  0.89  0.91  1.0
  Au  Au6  1  0.0  0.89  0.26  1.0
  Au  Au7  1  0.76  0.31  0.0  1.0

V V V V V V Au Au