data_V2CrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   142.14
_cell_angle_beta   127.28
_cell_angle_gamma   66.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CrNi
_chemical_formula_sum   'V2 Cr1 Ni1'
_cell_volume   49.31
_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  0.52  0.0  0.87  1.0
  V  V3  1  0.0  0.08  0.03  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.91  1.0

data_V2CrNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.16
_cell_length_c   4.68
_cell_angle_alpha   116.36
_cell_angle_beta   108.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CrNi
_chemical_formula_sum   'V2 Cr1 Ni1'
_cell_volume   49.31
_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  0.87  0.36  1.0
  V  V1  1  0.92  0.96  0.96  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.0  0.91  0.91  1.0

V V Cr Ni
V V Cr Ni 0 2 + o + 0 1 + o + 0 3 + o o 1 2 o o o 1 3 o o - 2 3 o o - 