data_Au5Cl24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.47
_cell_length_b   11.47
_cell_length_c   11.47
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Au5Cl24
_chemical_formula_sum   'Au5 Cl24'
_cell_volume   1161.46
_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
  Au  Au0  1  0.26  0.26  0.74  1.0
  Au  Au1  1  0.26  0.74  0.26  1.0
  Au  Au2  1  0.36  0.36  0.36  1.0
  Au  Au3  1  0.74  0.26  0.26  1.0
  Au  Au4  1  0.0  0.0  0.0  1.0
  Cl  Cl5  1  0.9  0.29  0.71  1.0
  Cl  Cl6  1  0.9  0.71  0.29  1.0
  Cl  Cl7  1  0.34  0.71  0.71  1.0
  Cl  Cl8  1  0.72  0.91  0.91  1.0
  Cl  Cl9  1  0.29  0.9  0.71  1.0
  Cl  Cl10  1  0.71  0.9  0.29  1.0
  Cl  Cl11  1  0.91  0.72  0.91  1.0
  Cl  Cl12  1  0.71  0.34  0.71  1.0
  Cl  Cl13  1  0.91  0.91  0.72  1.0
  Cl  Cl14  1  0.71  0.71  0.34  1.0
  Cl  Cl15  1  0.71  0.29  0.9  1.0
  Cl  Cl16  1  0.29  0.71  0.9  1.0
  Cl  Cl17  1  0.15  0.34  0.66  1.0
  Cl  Cl18  1  0.15  0.66  0.34  1.0
  Cl  Cl19  1  0.47  0.29  0.29  1.0
  Cl  Cl20  1  0.09  0.34  0.34  1.0
  Cl  Cl21  1  0.34  0.15  0.66  1.0
  Cl  Cl22  1  0.66  0.15  0.34  1.0
  Cl  Cl23  1  0.34  0.09  0.34  1.0
  Cl  Cl24  1  0.29  0.47  0.29  1.0
  Cl  Cl25  1  0.34  0.34  0.09  1.0
  Cl  Cl26  1  0.29  0.29  0.47  1.0
  Cl  Cl27  1  0.66  0.34  0.15  1.0
  Cl  Cl28  1  0.34  0.66  0.15  1.0

data_Au5Cl24
_symmetry_space_group_name_H-M   R3m
_cell_length_a   18.73
_cell_length_b   18.73
_cell_length_c   11.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Au5Cl24
_chemical_formula_sum   'Au15 Cl72'
_cell_volume   3484.38
_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
  Au  Au0  9  0.18  0.35  0.09  1.0
  Au  Au1  3  0.0  0.0  0.0  1.0
  Au  Au2  3  0.0  0.0  0.36  1.0
  Cl  Cl3  18  0.07  0.34  0.63  1.0
  Cl  Cl4  18  0.1  0.39  0.05  1.0
  Cl  Cl5  9  0.06  0.13  0.85  1.0
  Cl  Cl6  9  0.08  0.92  0.25  1.0
  Cl  Cl7  9  0.09  0.54  0.25  1.0
  Cl  Cl8  9  0.12  0.06  0.35  1.0

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