data_Sr24Cl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.94
_cell_length_b   12.94
_cell_length_c   12.94
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr24Cl5
_chemical_formula_sum   'Sr24 Cl5'
_cell_volume   1669.66
_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
  Sr  Sr5  1  0.44  0.56  0.27  1.0
  Sr  Sr6  1  0.56  0.44  0.27  1.0
  Sr  Sr7  1  0.44  0.44  0.68  1.0
  Sr  Sr8  1  0.03  0.03  0.21  1.0
  Sr  Sr9  1  0.44  0.68  0.44  1.0
  Sr  Sr10  1  0.03  0.21  0.03  1.0
  Sr  Sr11  1  0.56  0.27  0.44  1.0
  Sr  Sr12  1  0.44  0.27  0.56  1.0
  Sr  Sr13  1  0.27  0.56  0.44  1.0
  Sr  Sr14  1  0.27  0.44  0.56  1.0
  Sr  Sr15  1  0.21  0.03  0.03  1.0
  Sr  Sr16  1  0.68  0.44  0.44  1.0
  Sr  Sr17  1  0.02  0.98  0.34  1.0
  Sr  Sr18  1  0.98  0.02  0.34  1.0
  Sr  Sr19  1  0.49  0.49  0.13  1.0
  Sr  Sr20  1  0.98  0.98  0.61  1.0
  Sr  Sr21  1  0.49  0.13  0.49  1.0
  Sr  Sr22  1  0.98  0.61  0.98  1.0
  Sr  Sr23  1  0.98  0.34  0.02  1.0
  Sr  Sr24  1  0.02  0.34  0.98  1.0
  Sr  Sr25  1  0.34  0.98  0.02  1.0
  Sr  Sr26  1  0.34  0.02  0.98  1.0
  Sr  Sr27  1  0.61  0.98  0.98  1.0
  Sr  Sr28  1  0.13  0.49  0.49  1.0
  Cl  Cl0  1  0.49  0.51  0.49  1.0
  Cl  Cl1  1  0.51  0.49  0.49  1.0
  Cl  Cl2  1  0.49  0.49  0.51  1.0
  Cl  Cl3  1  0.98  0.98  0.98  1.0
  Cl  Cl4  1  0.0  0.0  0.0  1.0

data_Sr24Cl5
_symmetry_space_group_name_H-M   R3m
_cell_length_a   21.14
_cell_length_b   21.14
_cell_length_c   12.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sr24Cl5
_chemical_formula_sum   'Sr72 Cl15'
_cell_volume   5008.97
_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
  Sr  Sr0  18  0.02  0.15  0.42  1.0
  Sr  Sr1  18  0.2  0.44  0.78  1.0
  Sr  Sr2  9  0.08  0.54  0.52  1.0
  Sr  Sr3  9  0.09  0.55  0.04  1.0
  Sr  Sr4  9  0.11  0.06  0.09  1.0
  Sr  Sr5  9  0.16  0.08  0.52  1.0
  Cl  Cl6  9  0.01  0.0  0.5  1.0
  Cl  Cl7  3  0.0  0.0  0.0  1.0
  Cl  Cl8  3  0.0  0.0  0.98  1.0

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