data_VCuAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   99.53
_cell_angle_beta   99.53
_cell_angle_gamma   34.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCuAu2
_chemical_formula_sum   'V1 Cu1 Au2'
_cell_volume   62.72
_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  0.65  0.0  0.61  1.0
  Cu  Cu2  1  0.25  0.0  0.37  1.0
  Au  Au0  1  0.37  0.0  0.63  1.0
  Au  Au1  1  0.74  0.0  0.3  1.0

data_VCuAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   99.53
_cell_angle_beta   90.0
_cell_angle_gamma   107.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCuAu2
_chemical_formula_sum   'V1 Cu1 Au2'
_cell_volume   62.72
_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  0.35  0.39  1.0
  Cu  Cu1  1  0.0  0.75  0.63  1.0
  Au  Au2  1  0.0  0.26  0.7  1.0
  Au  Au3  1  0.0  0.63  0.37  1.0

V Cu Au Au