data_VNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   8.55
_cell_angle_alpha   128.41
_cell_angle_beta   128.41
_cell_angle_gamma   24.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNi
_chemical_formula_sum   'V4 Ni4'
_cell_volume   96.56
_cell_formula_units_Z   4
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  V4  1  0.31  0.0  0.7  1.0
  V  V5  1  0.79  0.0  0.85  1.0
  V  V6  1  0.47  0.0  0.75  1.0
  V  V7  1  0.95  0.0  0.9  1.0
  Ni  Ni0  1  0.88  0.0  0.09  1.0
  Ni  Ni1  1  0.13  0.0  0.3  1.0
  Ni  Ni2  1  0.38  0.0  0.51  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

data_VNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.5
_cell_length_b   5.98
_cell_length_c   6.73
_cell_angle_alpha   84.33
_cell_angle_beta   79.3
_cell_angle_gamma   77.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNi
_chemical_formula_sum   'V4 Ni4'
_cell_volume   96.56
_cell_formula_units_Z   4
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  0.04  0.9  1.0
  V  V1  1  0.0  0.61  0.7  1.0
  V  V2  1  0.0  0.72  0.75  1.0
  V  V3  1  0.0  0.93  0.85  1.0
  Ni  Ni4  1  0.0  0.0  0.0  1.0
  Ni  Ni5  1  0.0  0.78  0.09  1.0
  Ni  Ni6  1  0.0  0.83  0.3  1.0
  Ni  Ni7  1  0.0  0.87  0.51  1.0

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