data_V5Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   5.83
_cell_angle_alpha   107.56
_cell_angle_beta   107.56
_cell_angle_gamma   35.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V5Ni
_chemical_formula_sum   'V5 Ni1'
_cell_volume   77.75
_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  V1  1  0.64  0.0  0.83  1.0
  V  V2  1  0.83  0.0  0.91  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  V  V4  1  0.67  0.0  0.61  1.0
  V  V5  1  0.85  0.0  0.69  1.0
  Ni  Ni0  1  0.08  0.0  0.76  1.0

data_V5Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.91
_cell_length_c   5.83
_cell_angle_alpha   107.56
_cell_angle_beta   90.0
_cell_angle_gamma   107.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V5Ni
_chemical_formula_sum   'V5 Ni1'
_cell_volume   77.75
_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  0.15  0.31  1.0
  V  V2  1  0.0  0.17  0.09  1.0
  V  V3  1  0.0  0.33  0.39  1.0
  V  V4  1  0.0  0.36  0.17  1.0
  Ni  Ni5  1  0.0  0.92  0.24  1.0

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