data_VAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.58
_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   VAu3
_chemical_formula_sum   'V1 Au3'
_cell_volume   69.24
_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  0.0  1.0
  Au  Au0  1  0.59  0.79  0.43  1.0
  Au  Au1  1  0.59  0.79  0.65  1.0
  Au  Au2  1  0.0  0.0  0.04  1.0

data_VAu3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   3.58
_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   VAu3
_chemical_formula_sum   'V1 Au3'
_cell_volume   69.24
_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  0.0  1.0
  Au  Au1  1  0.0  0.0  0.04  1.0
  Au  Au2  1  0.59  0.79  0.43  1.0
  Au  Au3  1  0.59  0.79  0.65  1.0

V Au Au Au