data_Zn5Cl24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.54
_cell_length_b   11.54
_cell_length_c   11.54
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn5Cl24
_chemical_formula_sum   'Zn5 Cl24'
_cell_volume   1182.2
_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
  Zn  Zn24  1  0.05  0.95  0.05  1.0
  Zn  Zn25  1  0.95  0.05  0.05  1.0
  Zn  Zn26  1  0.05  0.05  0.95  1.0
  Zn  Zn27  1  0.61  0.61  0.61  1.0
  Zn  Zn28  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.71  0.29  0.38  1.0
  Cl  Cl1  1  0.29  0.71  0.38  1.0
  Cl  Cl2  1  0.71  0.71  0.94  1.0
  Cl  Cl3  1  0.96  0.96  0.28  1.0
  Cl  Cl4  1  0.71  0.94  0.71  1.0
  Cl  Cl5  1  0.96  0.28  0.96  1.0
  Cl  Cl6  1  0.29  0.38  0.71  1.0
  Cl  Cl7  1  0.71  0.38  0.29  1.0
  Cl  Cl8  1  0.38  0.29  0.71  1.0
  Cl  Cl9  1  0.38  0.71  0.29  1.0
  Cl  Cl10  1  0.28  0.96  0.96  1.0
  Cl  Cl11  1  0.94  0.71  0.71  1.0
  Cl  Cl12  1  0.21  0.79  0.86  1.0
  Cl  Cl13  1  0.79  0.21  0.86  1.0
  Cl  Cl14  1  0.87  0.87  0.81  1.0
  Cl  Cl15  1  0.79  0.79  0.47  1.0
  Cl  Cl16  1  0.87  0.81  0.87  1.0
  Cl  Cl17  1  0.79  0.47  0.79  1.0
  Cl  Cl18  1  0.79  0.86  0.21  1.0
  Cl  Cl19  1  0.21  0.86  0.79  1.0
  Cl  Cl20  1  0.86  0.79  0.21  1.0
  Cl  Cl21  1  0.86  0.21  0.79  1.0
  Cl  Cl22  1  0.47  0.79  0.79  1.0
  Cl  Cl23  1  0.81  0.87  0.87  1.0

data_Zn5Cl24
_symmetry_space_group_name_H-M   R3m
_cell_length_a   18.84
_cell_length_b   18.84
_cell_length_c   11.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Zn5Cl24
_chemical_formula_sum   'Zn15 Cl72'
_cell_volume   3546.61
_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
  Zn  Zn0  9  0.03  0.07  0.02  1.0
  Zn  Zn1  3  0.0  0.0  -0.0  1.0
  Zn  Zn2  3  0.0  0.0  0.61  1.0
  Cl  Cl3  18  0.17  0.42  0.13  1.0
  Cl  Cl4  18  0.17  0.41  0.62  1.0
  Cl  Cl5  9  0.02  0.04  0.85  1.0
  Cl  Cl6  9  0.11  0.21  0.68  1.0
  Cl  Cl7  9  0.16  0.08  0.78  1.0
  Cl  Cl8  9  0.22  0.11  0.06  1.0

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