data_VNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83
_cell_length_b   6.83
_cell_length_c   6.83
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNi4
_chemical_formula_sum   'V4 Ni16'
_cell_volume   245.8
_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  V16  1  0.63  0.63  0.63  1.0
  V  V17  1  0.32  0.32  0.68  1.0
  V  V18  1  0.32  0.68  0.32  1.0
  V  V19  1  0.68  0.32  0.32  1.0
  Ni  Ni0  1  0.37  0.37  0.37  1.0
  Ni  Ni1  1  0.57  0.57  0.43  1.0
  Ni  Ni2  1  0.57  0.43  0.57  1.0
  Ni  Ni3  1  0.43  0.57  0.57  1.0
  Ni  Ni4  1  0.69  0.0  0.0  1.0
  Ni  Ni5  1  0.2  0.0  0.0  1.0
  Ni  Ni6  1  0.0  0.69  0.0  1.0
  Ni  Ni7  1  0.0  0.2  0.0  1.0
  Ni  Ni8  1  0.0  0.0  0.69  1.0
  Ni  Ni9  1  0.0  0.0  0.2  1.0
  Ni  Ni10  1  0.97  0.95  0.0  1.0
  Ni  Ni11  1  0.97  0.0  0.95  1.0
  Ni  Ni12  1  0.0  0.97  0.95  1.0
  Ni  Ni13  1  0.95  0.97  0.0  1.0
  Ni  Ni14  1  0.95  0.0  0.97  1.0
  Ni  Ni15  1  0.0  0.95  0.97  1.0

data_VNi4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   11.16
_cell_length_b   11.16
_cell_length_c   6.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   VNi4
_chemical_formula_sum   'V12 Ni48'
_cell_volume   737.41
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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  9  0.21  0.43  0.11  1.0
  V  V1  3  0.0  0.0  0.63  1.0
  Ni  Ni2  18  -0.0  0.03  0.97  1.0
  Ni  Ni3  9  0.05  0.1  0.52  1.0
  Ni  Ni4  9  0.1  0.21  0.9  1.0
  Ni  Ni5  9  0.13  0.07  0.07  1.0
  Ni  Ni6  3  0.0  0.0  0.37  1.0

V V V V Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni
V V V V Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni 0 5 o o o 0 7 o o o 0 6 o o o 1 12 o o o 1 7 o o o 1 6 o o o 1 4 o o o 2 10 o o o 2 7 o o o 2 5 o o o 2 4 o o o 3 6 o o o 3 5 o o o 3 4 o o o 3 8 o o o 4 7 o o o 4 5 o o o 4 6 o o o 8 17 o - o 8 14 o - o 8 11 + o o 8 18 o o - 8 15 o o - 8 13 + o o 9 19 o - - 9 16 o - - 9 14 - - o 9 15 - o - 9 10 o - o 9 12 o o - 10 19 o o - 10 16 o o - 10 17 - o o 10 14 - o o 10 13 o + o 11 16 o - - 11 18 - o - 11 15 - o - 11 17 - - o 11 12 o o - 12 18 - o o 12 15 - o o 12 19 o - o 12 16 o - o 13 17 - - o 13 18 - o - 13 19 o - - 13 14 - - o 14 17 o o o 14 19 + o - 15 18 o o o 15 16 + - o 16 19 o o o 17 18 o + - 