data_V2CuMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   140.83
_cell_angle_beta   127.98
_cell_angle_gamma   67.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CuMo
_chemical_formula_sum   'V2 Cu1 Mo1'
_cell_volume   54.92
_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  0.0  0.11  0.95  1.0
  V  V3  1  0.62  0.0  0.07  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.0  0.02  1.0

data_V2CuMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.23
_cell_length_c   4.82
_cell_angle_alpha   116.01
_cell_angle_beta   109.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CuMo
_chemical_formula_sum   'V2 Cu1 Mo1'
_cell_volume   54.92
_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  0.46  1.0
  V  V1  1  0.89  0.83  0.83  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.02  0.02  1.0

V V Cu Mo
V V Cu Mo 0 3 o o + 0 2 o o + 1 3 + o o 1 2 + o o 2 3 o o o 