data_V3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27
_cell_length_b   5.66
_cell_length_c   4.44
_cell_angle_alpha   75.73
_cell_angle_beta   60.94
_cell_angle_gamma   43.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V3Ni5
_chemical_formula_sum   'V3 Ni5'
_cell_volume   92.98
_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  V5  1  0.49  0.68  0.61  1.0
  V  V6  1  0.0  0.0  0.0  1.0
  V  V7  1  0.49  0.68  0.55  1.0
  Ni  Ni0  1  0.24  0.84  0.25  1.0
  Ni  Ni1  1  0.49  0.68  0.08  1.0
  Ni  Ni2  1  0.73  0.52  0.91  1.0
  Ni  Ni3  1  0.73  0.52  0.33  1.0
  Ni  Ni4  1  0.24  0.84  0.83  1.0

data_V3Ni5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   5.66
_cell_angle_alpha   104.27
_cell_angle_beta   104.27
_cell_angle_gamma   111.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V3Ni5
_chemical_formula_sum   'V3 Ni5'
_cell_volume   92.98
_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
  V  V1  1  0.68  0.72  0.17  1.0
  V  V2  1  0.68  0.78  0.17  1.0
  Ni  Ni3  1  0.52  0.16  0.25  1.0
  Ni  Ni4  1  0.52  0.58  0.25  1.0
  Ni  Ni5  1  0.68  0.25  0.17  1.0
  Ni  Ni6  1  0.84  0.34  0.08  1.0
  Ni  Ni7  1  0.84  0.91  0.08  1.0

V V V Ni Ni Ni Ni Ni
V V V Ni Ni Ni Ni Ni 0 2 o o o 0 6 o o o 0 7 o o o 1 7 o - - 2 6 o o o 2 7 o o o 3 4 o o o 4 5 o o - 