data_CsClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.05
_cell_length_b   6.15
_cell_length_c   8.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsClO4
_chemical_formula_sum   'Cs4 Cl4 O16'
_cell_volume   495.33
_cell_formula_units_Z   4
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
  Cs  Cs0  1  0.92  0.54  0.71  1.0
  Cs  Cs1  1  0.13  0.61  0.31  1.0
  Cs  Cs2  1  0.15  0.61  0.72  1.0
  Cs  Cs3  1  0.9  0.54  0.3  1.0
  Cl  Cl4  1  0.57  0.54  0.59  1.0
  Cl  Cl5  1  0.48  0.61  0.43  1.0
  Cl  Cl6  1  0.46  0.61  0.58  1.0
  Cl  Cl7  1  0.59  0.54  0.44  1.0
  O  O8  1  0.8  0.61  0.01  1.0
  O  O9  1  0.28  0.42  0.42  1.0
  O  O10  1  0.74  0.34  0.43  1.0
  O  O11  1  0.6  0.54  0.49  1.0
  O  O12  1  0.58  0.54  0.53  1.0
  O  O13  1  0.77  0.61  0.0  1.0
  O  O14  1  0.74  0.73  0.43  1.0
  O  O15  1  0.31  0.42  0.59  1.0
  O  O16  1  0.28  0.54  0.02  1.0
  O  O17  1  0.77  0.73  0.6  1.0
  O  O18  1  0.31  0.8  0.59  1.0
  O  O19  1  0.77  0.34  0.6  1.0
  O  O20  1  0.45  0.61  0.52  1.0
  O  O21  1  0.47  0.61  0.49  1.0
  O  O22  1  0.25  0.54  0.01  1.0
  O  O23  1  0.28  0.8  0.42  1.0

data_CsClO4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.15
_cell_length_b   8.02
_cell_length_c   10.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CsClO4
_chemical_formula_sum   'Cs4 Cl4 O16'
_cell_volume   495.33
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Cs  Cs0  2  0.46  0.29  0.87  1.0
  Cs  Cs1  2  0.46  0.7  0.9  1.0
  Cl  Cl2  2  0.46  0.43  0.57  1.0
  Cl  Cl3  2  0.46  0.58  0.54  1.0
  O  O4  2  0.27  0.42  0.72  1.0
  O  O5  2  0.27  0.59  0.74  1.0
  O  O6  2  0.34  0.58  0.28  1.0
  O  O7  2  0.34  0.41  0.26  1.0
  O  O8  2  0.46  0.0  0.23  1.0
  O  O9  2  0.46  0.01  0.25  1.0
  O  O10  2  0.46  0.49  0.58  1.0
  O  O11  2  0.46  0.52  0.55  1.0

Cs Cs Cs Cs Cl Cl Cl Cl O O O O O O O O O O O O O O O O
Cs Cs Cs Cs Cl Cl Cl Cl O O O O O O O O O O O O O O O O 0 19 o o o 0 17 o o o 0 2 + o o 1 3 - o o 1 9 o o o 1 23 o o o 2 15 o o o 2 22 o o + 2 18 o o o 3 10 o o o 3 8 o o o 3 14 o o o 4 12 o o o 5 21 o o o 6 20 o o o 7 11 o o o 8 13 o o o 9 15 o o o 10 19 o o o 11 12 o o o 14 17 o o o 16 22 o o o 18 23 o o o 20 21 o o o 