data_VInAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.77
_cell_length_c   6.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VInAu2
_chemical_formula_sum   'V1 In1 Au2'
_cell_volume   73.62
_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  V3  1  0.0  0.0  0.68  1.0
  In  In2  1  0.61  0.88  0.03  1.0
  Au  Au0  1  0.61  0.88  0.98  1.0
  Au  Au1  1  0.0  0.0  0.52  1.0

data_VInAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   3.77
_cell_length_c   6.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VInAu2
_chemical_formula_sum   'V1 In1 Au2'
_cell_volume   73.62
_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  0.0  0.0  0.68  1.0
  In  In1  1  0.61  0.88  0.03  1.0
  Au  Au2  1  0.0  0.0  0.52  1.0
  Au  Au3  1  0.61  0.88  0.98  1.0

V In Au Au
V In Au Au 0 3 o o o 1 2 o o - 