data_VNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   4.51
_cell_angle_alpha   133.06
_cell_angle_beta   133.06
_cell_angle_gamma   68.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNi
_chemical_formula_sum   'V2 Ni2'
_cell_volume   48.16
_cell_formula_units_Z   2
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  0.0  0.8  0.86  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Ni  Ni0  1  0.0  0.0  0.73  1.0
  Ni  Ni1  1  0.8  0.0  0.86  1.0

data_VNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   4.51
_cell_angle_alpha   113.47
_cell_angle_beta   113.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNi
_chemical_formula_sum   'V2 Ni2'
_cell_volume   48.16
_cell_formula_units_Z   2
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
  V  V1  1  0.93  0.8  0.93  1.0
  Ni  Ni2  1  0.14  0.0  0.93  1.0
  Ni  Ni3  1  0.27  0.0  0.27  1.0

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