data_V5Pd24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.35
_cell_length_b   8.35
_cell_length_c   8.35
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V5Pd24
_chemical_formula_sum   'V5 Pd24'
_cell_volume   448.37
_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  V24  1  0.04  0.96  0.04  1.0
  V  V25  1  0.96  0.04  0.04  1.0
  V  V26  1  0.04  0.04  0.96  1.0
  V  V27  1  0.78  0.78  0.78  1.0
  V  V28  1  0.0  0.0  0.0  1.0
  Pd  Pd0  1  0.9  0.1  0.72  1.0
  Pd  Pd1  1  0.1  0.9  0.72  1.0
  Pd  Pd2  1  0.9  0.9  0.93  1.0
  Pd  Pd3  1  0.92  0.92  0.1  1.0
  Pd  Pd4  1  0.9  0.93  0.9  1.0
  Pd  Pd5  1  0.92  0.1  0.92  1.0
  Pd  Pd6  1  0.1  0.72  0.9  1.0
  Pd  Pd7  1  0.9  0.72  0.1  1.0
  Pd  Pd8  1  0.72  0.1  0.9  1.0
  Pd  Pd9  1  0.72  0.9  0.1  1.0
  Pd  Pd10  1  0.1  0.92  0.92  1.0
  Pd  Pd11  1  0.93  0.9  0.9  1.0
  Pd  Pd12  1  0.68  0.32  0.38  1.0
  Pd  Pd13  1  0.32  0.68  0.38  1.0
  Pd  Pd14  1  0.5  0.5  0.44  1.0
  Pd  Pd15  1  0.32  0.32  0.26  1.0
  Pd  Pd16  1  0.5  0.44  0.5  1.0
  Pd  Pd17  1  0.32  0.26  0.32  1.0
  Pd  Pd18  1  0.32  0.38  0.68  1.0
  Pd  Pd19  1  0.68  0.38  0.32  1.0
  Pd  Pd20  1  0.38  0.32  0.68  1.0
  Pd  Pd21  1  0.38  0.68  0.32  1.0
  Pd  Pd22  1  0.26  0.32  0.32  1.0
  Pd  Pd23  1  0.44  0.5  0.5  1.0

data_V5Pd24
_symmetry_space_group_name_H-M   R3m
_cell_length_a   13.64
_cell_length_b   13.64
_cell_length_c   8.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   V5Pd24
_chemical_formula_sum   'V15 Pd72'
_cell_volume   1345.11
_cell_formula_units_Z   3
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  0.03  0.06  0.01  1.0
  V  V1  3  0.0  0.0  0.0  1.0
  V  V2  3  0.0  0.0  0.78  1.0
  Pd  Pd3  18  0.15  0.47  0.57  1.0
  Pd  Pd4  18  0.19  0.45  0.13  1.0
  Pd  Pd5  9  0.02  0.01  0.91  1.0
  Pd  Pd6  9  0.02  0.04  0.3  1.0
  Pd  Pd7  9  0.02  0.04  0.48  1.0
  Pd  Pd8  9  0.12  0.06  0.98  1.0

V V V V V Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd
V V V V V Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd 0 4 o + o 0 8 - o o 0 15 o o - 1 4 + o o 1 8 o - o 1 10 o o - 2 4 o o + 2 10 - o o 2 15 o - o 3 16 o o o 3 9 o o o 3 7 o o o 4 16 - - - 4 9 - - - 4 7 - - - 4 8 - - o 4 10 - o - 4 15 o - - 5 10 o o o 6 15 o o o 7 9 o o o 7 16 o o o 7 8 o o + 8 12 o o o 8 14 o o o 9 16 o o o 9 10 o + o 10 13 o o o 11 15 o o o 15 16 - o o 17 24 o o o 18 26 o o o 19 28 o o o 19 21 o o o 20 27 o o o 20 22 o o o 21 28 o o o 22 27 o o o 23 25 o o o 