data_VCuNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.83
_cell_length_c   2.54
_cell_angle_alpha   77.82
_cell_angle_beta   77.07
_cell_angle_gamma   25.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCuNi
_chemical_formula_sum   'V1 Cu1 Ni1'
_cell_volume   35.73
_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  0.77  0.82  0.46  1.0
  Cu  Cu0  1  0.77  0.82  0.05  1.0
  Ni  Ni1  1  0.77  0.82  0.7  1.0

data_VCuNi
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   2.54
_cell_length_b   11.11
_cell_length_c   2.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   VCuNi
_chemical_formula_sum   'V2 Cu2 Ni2'
_cell_volume   71.5
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  0.0  0.0  0.28  1.0
  Cu  Cu1  2  0.0  0.0  0.87  1.0
  Ni  Ni2  2  0.0  0.0  0.52  1.0

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