data_V2CuBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   4.45
_cell_angle_alpha   114.36
_cell_angle_beta   114.36
_cell_angle_gamma   39.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CuBi
_chemical_formula_sum   'V2 Cu1 Bi1'
_cell_volume   64.81
_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  0.09  0.0  0.07  1.0
  V  V3  1  0.49  0.0  0.88  1.0
  Cu  Cu1  1  0.98  0.0  0.03  1.0
  Bi  Bi0  1  0.77  0.0  0.02  1.0

data_V2CuBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.45
_cell_length_c   5.05
_cell_angle_alpha   114.36
_cell_angle_beta   109.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CuBi
_chemical_formula_sum   'V2 Cu1 Bi1'
_cell_volume   64.81
_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  0.07  0.09  1.0
  V  V1  1  0.0  0.88  0.49  1.0
  Cu  Cu2  1  0.0  0.03  0.98  1.0
  Bi  Bi3  1  0.0  0.02  0.77  1.0

V V Cu Bi
V V Cu Bi 0 2 - o o 1 3 o o + 2 3 o o o 