data_V3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   8.71
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V3Cu
_chemical_formula_sum   'V12 Cu4'
_cell_volume   211.82
_cell_formula_units_Z   4
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  V4  1  0.76  0.18  0.37  1.0
  V  V5  1  0.42  0.53  0.83  1.0
  V  V6  1  0.37  0.18  0.24  1.0
  V  V7  1  0.02  0.53  0.71  1.0
  V  V8  1  0.12  0.09  0.93  1.0
  V  V9  1  0.27  0.62  0.47  1.0
  V  V10  1  0.52  0.26  0.61  1.0
  V  V11  1  0.66  0.45  0.15  1.0
  V  V12  1  0.66  0.62  0.15  1.0
  V  V13  1  0.52  0.09  0.61  1.0
  V  V14  1  0.27  0.45  0.47  1.0
  V  V15  1  0.12  0.26  0.93  1.0
  Cu  Cu0  1  0.52  0.18  0.86  1.0
  Cu  Cu1  1  0.66  0.53  0.4  1.0
  Cu  Cu2  1  0.13  0.18  0.68  1.0
  Cu  Cu3  1  0.26  0.53  0.22  1.0

data_V3Cu
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.79
_cell_length_b   5.08
_cell_length_c   8.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   V3Cu
_chemical_formula_sum   'V12 Cu4'
_cell_volume   211.82
_cell_formula_units_Z   4
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  2  0.13  0.17  0.68  1.0
  V  V1  2  0.23  0.39  0.24  1.0
  V  V2  2  0.23  0.39  0.41  1.0
  V  V3  2  0.38  0.93  0.59  1.0
  V  V4  2  0.38  0.93  0.76  1.0
  V  V5  2  0.48  0.71  0.32  1.0
  Cu  Cu6  2  0.24  0.14  0.32  1.0
  Cu  Cu7  2  0.37  0.68  0.68  1.0

V V V V V V V V V V V V Cu Cu Cu Cu