data_VCu2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   2.46
_cell_angle_alpha   101.18
_cell_angle_beta   101.18
_cell_angle_gamma   120.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCu2Ni
_chemical_formula_sum   'V1 Cu2 Ni1'
_cell_volume   48.15
_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
  Cu  Cu0  1  0.75  0.15  0.13  1.0
  Cu  Cu1  1  0.75  0.85  0.13  1.0
  Ni  Ni2  1  0.46  0.0  0.0  1.0

data_VCu2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.46
_cell_length_b   4.57
_cell_length_c   4.96
_cell_angle_alpha   115.51
_cell_angle_beta   101.18
_cell_angle_gamma   96.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCu2Ni
_chemical_formula_sum   'V1 Cu2 Ni1'
_cell_volume   48.15
_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
  Cu  Cu1  1  0.29  0.15  0.9  1.0
  Cu  Cu2  1  0.98  0.85  0.6  1.0
  Ni  Ni3  1  0.0  0.0  0.46  1.0

V Cu Cu Ni
V Cu Cu Ni 0 2 - - o 1 3 o o o 