data_V4Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.17
_cell_length_b   15.17
_cell_length_c   15.17
_cell_angle_alpha   9.72
_cell_angle_beta   9.72
_cell_angle_gamma   9.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V4Ni3
_chemical_formula_sum   'V4 Ni3'
_cell_volume   86.39
_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  V3  1  0.0  0.0  0.57  1.0
  V  V4  1  0.0  0.0  0.31  1.0
  V  V5  1  0.0  0.0  0.98  1.0
  V  V6  1  0.0  0.0  0.73  1.0
  Ni  Ni0  1  0.0  0.0  0.78  1.0
  Ni  Ni1  1  0.0  0.0  0.52  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0

data_V4Ni3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.45
_cell_length_b   2.57
_cell_length_c   15.17
_cell_angle_alpha   90.0
_cell_angle_beta   95.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   V4Ni3
_chemical_formula_sum   'V8 Ni6'
_cell_volume   172.77
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.02  1.0
  V  V1  2  0.0  0.0  0.27  1.0
  V  V2  2  0.0  0.0  0.43  1.0
  V  V3  2  0.0  0.0  0.69  1.0
  Ni  Ni4  2  0.0  0.0  0.0  1.0
  Ni  Ni5  2  0.0  0.0  0.22  1.0
  Ni  Ni6  2  0.0  0.0  0.48  1.0

V V V V Ni Ni Ni