data_V3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.62
_cell_length_b   6.86
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V3Ni5
_chemical_formula_sum   'V3 Ni5'
_cell_volume   93.74
_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  0.31  0.17  0.95  1.0
  V  V6  1  0.0  0.0  0.47  1.0
  V  V7  1  0.31  0.69  0.95  1.0
  Ni  Ni0  1  0.0  0.0  0.03  1.0
  Ni  Ni1  1  0.31  0.75  0.31  1.0
  Ni  Ni2  1  0.0  0.43  0.62  1.0
  Ni  Ni3  1  0.0  0.43  0.01  1.0
  Ni  Ni4  1  0.31  0.1  0.31  1.0

data_V3Ni5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   5.22
_cell_length_c   6.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V3Ni5
_chemical_formula_sum   'V3 Ni5'
_cell_volume   93.74
_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  0.53  0.0  1.0
  V  V1  1  0.69  0.05  0.31  1.0
  V  V2  1  0.69  0.05  0.83  1.0
  Ni  Ni3  1  0.0  0.38  0.57  1.0
  Ni  Ni4  1  0.0  0.97  0.0  1.0
  Ni  Ni5  1  0.0  0.99  0.57  1.0
  Ni  Ni6  1  0.69  0.69  0.25  1.0
  Ni  Ni7  1  0.69  0.69  0.9  1.0

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