data_V17Zn12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.03
_cell_length_b   8.03
_cell_length_c   8.03
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V17Zn12
_chemical_formula_sum   'V17 Zn12'
_cell_volume   399.07
_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  0.26  0.04  0.26  1.0
  V  V1  1  0.38  0.41  0.38  1.0
  V  V2  1  0.26  0.23  0.74  1.0
  V  V3  1  0.74  0.23  0.26  1.0
  V  V4  1  0.26  0.74  0.23  1.0
  V  V5  1  0.74  0.26  0.23  1.0
  V  V6  1  0.38  0.38  0.41  1.0
  V  V7  1  0.26  0.26  0.04  1.0
  V  V8  1  0.23  0.74  0.26  1.0
  V  V9  1  0.23  0.26  0.74  1.0
  V  V10  1  0.04  0.26  0.26  1.0
  V  V11  1  0.41  0.38  0.38  1.0
  V  V12  1  0.72  0.28  0.72  1.0
  V  V13  1  0.92  0.92  0.92  1.0
  V  V14  1  0.72  0.72  0.28  1.0
  V  V15  1  0.28  0.72  0.72  1.0
  V  V16  1  0.0  0.0  0.0  1.0
  Zn  Zn17  1  0.79  0.95  0.79  1.0
  Zn  Zn18  1  0.85  0.58  0.85  1.0
  Zn  Zn19  1  0.15  0.69  0.85  1.0
  Zn  Zn20  1  0.85  0.69  0.15  1.0
  Zn  Zn21  1  0.15  0.85  0.69  1.0
  Zn  Zn22  1  0.85  0.15  0.69  1.0
  Zn  Zn23  1  0.85  0.85  0.58  1.0
  Zn  Zn24  1  0.79  0.79  0.95  1.0
  Zn  Zn25  1  0.69  0.85  0.15  1.0
  Zn  Zn26  1  0.69  0.15  0.85  1.0
  Zn  Zn27  1  0.95  0.79  0.79  1.0
  Zn  Zn28  1  0.58  0.85  0.85  1.0

data_V17Zn12
_symmetry_space_group_name_H-M   R3m
_cell_length_a   13.12
_cell_length_b   13.12
_cell_length_c   8.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   V17Zn12
_chemical_formula_sum   'V51 Zn36'
_cell_volume   1197.22
_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  18  0.0  0.49  0.74  1.0
  V  V1  9  0.02  0.01  0.39  1.0
  V  V2  9  0.04  0.52  0.24  1.0
  V  V3  9  0.07  0.14  0.19  1.0
  V  V4  3  0.0  0.0  0.0  1.0
  V  V5  3  0.0  0.0  0.92  1.0
  Zn  Zn6  18  0.13  0.41  0.56  1.0
  Zn  Zn7  9  0.09  0.18  0.76  1.0
  Zn  Zn8  9  0.1  0.05  0.84  1.0

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