data_VCrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   4.35
_cell_angle_alpha   99.46
_cell_angle_beta   99.46
_cell_angle_gamma   32.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCrNi2
_chemical_formula_sum   'V1 Cr1 Ni2'
_cell_volume   46.45
_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
  Cr  Cr0  1  0.91  0.0  0.14  1.0
  Ni  Ni1  1  0.25  0.0  0.09  1.0
  Ni  Ni2  1  0.57  0.0  0.19  1.0

data_VCrNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.53
_cell_length_b   4.35
_cell_length_c   4.46
_cell_angle_alpha   99.46
_cell_angle_beta   106.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCrNi2
_chemical_formula_sum   'V1 Cr1 Ni2'
_cell_volume   46.45
_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
  Cr  Cr1  1  0.0  0.14  0.91  1.0
  Ni  Ni2  1  0.0  0.09  0.25  1.0
  Ni  Ni3  1  0.0  0.19  0.57  1.0

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