data_V3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   4.41
_cell_angle_alpha   106.56
_cell_angle_beta   106.56
_cell_angle_gamma   60.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V3Ni5
_chemical_formula_sum   'V3 Ni5'
_cell_volume   93.54
_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  0.0  0.0  1.0
  V  V6  1  0.2  0.27  0.0  1.0
  V  V7  1  0.2  0.73  0.0  1.0
  Ni  Ni0  1  0.68  0.27  0.08  1.0
  Ni  Ni1  1  0.41  0.0  0.0  1.0
  Ni  Ni2  1  0.68  0.73  0.08  1.0
  Ni  Ni3  1  0.85  0.0  1.0  1.0
  Ni  Ni4  1  0.5  0.0  0.17  1.0

data_V3Ni5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.41
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   60.12
_cell_angle_beta   73.44
_cell_angle_gamma   73.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V3Ni5
_chemical_formula_sum   'V3 Ni5'
_cell_volume   93.54
_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  0.0  0.8  0.27  1.0
  V  V2  1  0.0  0.8  0.73  1.0
  Ni  Ni3  1  0.0  0.59  0.0  1.0
  Ni  Ni4  1  0.08  0.32  0.27  1.0
  Ni  Ni5  1  0.08  0.32  0.73  1.0
  Ni  Ni6  1  0.17  0.5  0.0  1.0
  Ni  Ni7  1  1.0  0.15  0.0  1.0

V V V Ni Ni Ni Ni Ni