data_V2NiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   3.22
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2NiAu
_chemical_formula_sum   'V2 Ni1 Au1'
_cell_volume   55.49
_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  0.61  0.7  1.0
  V  V3  1  0.0  0.0  0.33  1.0
  Ni  Ni1  1  0.0  0.0  0.53  1.0
  Au  Au0  1  0.48  0.61  0.93  1.0

data_V2NiAu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.22
_cell_length_b   2.97
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   V2NiAu
_chemical_formula_sum   'V2 Ni1 Au1'
_cell_volume   55.49
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.33  1.0
  V  V1  1  0.61  0.5  0.7  1.0
  Ni  Ni2  1  0.0  0.0  0.53  1.0
  Au  Au3  1  0.61  0.5  0.93  1.0

V V Ni Au