data_V3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   2.58
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   109.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V3Ni5
_chemical_formula_sum   'V3 Ni5'
_cell_volume   94.56
_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  0.0  0.29  0.13  1.0
  V  V6  1  0.0  0.0  0.0  1.0
  V  V7  1  0.08  0.29  0.8  1.0
  Ni  Ni0  1  0.14  0.0  0.49  1.0
  Ni  Ni1  1  0.02  0.29  0.23  1.0
  Ni  Ni2  1  0.04  0.0  0.96  1.0
  Ni  Ni3  1  0.06  0.29  0.7  1.0
  Ni  Ni4  1  0.94  0.0  0.43  1.0

data_V3Ni5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.58
_cell_length_b   6.2
_cell_length_c   6.29
_cell_angle_alpha   109.64
_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   94.56
_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  0.71  0.92  0.2  1.0
  V  V2  1  0.71  1.0  0.87  1.0
  Ni  Ni3  1  0.0  0.06  0.57  1.0
  Ni  Ni4  1  0.0  0.86  0.51  1.0
  Ni  Ni5  1  0.0  0.96  0.04  1.0
  Ni  Ni6  1  0.71  0.94  0.3  1.0
  Ni  Ni7  1  0.71  0.98  0.77  1.0

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