data_VCr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   4.64
_cell_angle_alpha   142.63
_cell_angle_beta   128.11
_cell_angle_gamma   65.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCr2Ni
_chemical_formula_sum   'V1 Cr2 Ni1'
_cell_volume   47.2
_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  0.87  1.0
  Cr  Cr0  1  0.0  0.03  0.86  1.0
  Cr  Cr1  1  0.0  0.0  0.96  1.0
  Ni  Ni2  1  0.0  0.03  0.01  1.0

data_VCr2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.06
_cell_length_c   4.64
_cell_angle_alpha   115.94
_cell_angle_beta   108.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCr2Ni
_chemical_formula_sum   'V1 Cr2 Ni1'
_cell_volume   47.2
_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  0.13  0.13  0.13  1.0
  Cr  Cr1  1  0.04  0.04  0.04  1.0
  Cr  Cr2  1  0.14  0.17  0.17  1.0
  Ni  Ni3  1  0.99  0.02  0.02  1.0

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