data_V2BiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   3.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2BiAu
_chemical_formula_sum   'V2 Bi1 Au1'
_cell_volume   70.81
_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
  V  V2  1  0.48  0.2  0.66  1.0
  V  V3  1  0.48  0.8  0.66  1.0
  Bi  Bi1  1  0.96  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0

data_V2BiAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   4.67
_cell_length_c   4.67
_cell_angle_alpha   101.27
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2BiAu
_chemical_formula_sum   'V2 Bi1 Au1'
_cell_volume   70.81
_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
  V  V0  1  0.66  0.48  0.2  1.0
  V  V1  1  0.66  0.48  0.8  1.0
  Bi  Bi2  1  0.0  0.96  0.0  1.0
  Au  Au3  1  0.0  0.0  0.0  1.0

V V Bi Au
V V Bi Au 0 1 o - o 2 3 + o o 