data_VFe2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   4.47
_cell_angle_alpha   134.13
_cell_angle_beta   132.54
_cell_angle_gamma   68.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe2Ni
_chemical_formula_sum   'V1 Fe2 Ni1'
_cell_volume   46.48
_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  0.57  1.0
  Fe  Fe0  1  0.0  0.8  0.7  1.0
  Fe  Fe1  1  0.0  0.0  0.84  1.0
  Ni  Ni2  1  0.0  0.8  0.0  1.0

data_VFe2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   3.6
_cell_length_c   4.47
_cell_angle_alpha   113.73
_cell_angle_beta   112.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe2Ni
_chemical_formula_sum   'V1 Fe2 Ni1'
_cell_volume   46.48
_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  0.43  0.43  0.43  1.0
  Fe  Fe1  1  0.16  0.16  0.16  1.0
  Fe  Fe2  1  0.3  0.1  0.1  1.0
  Ni  Ni3  1  1.0  0.8  0.8  1.0

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