data_ClO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   8.73
_cell_length_c   9.23
_cell_angle_alpha   90.0
_cell_angle_beta   112.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ClO5
_chemical_formula_sum   'Cl4 O20'
_cell_volume   374.14
_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
  Cl  Cl0  1  1.0  0.41  0.38  1.0
  Cl  Cl1  1  0.53  0.32  0.17  1.0
  Cl  Cl2  1  0.27  0.04  0.89  1.0
  Cl  Cl3  1  0.25  0.69  0.66  1.0
  O  O4  1  0.7  0.39  0.67  1.0
  O  O5  1  0.82  0.34  0.88  1.0
  O  O6  1  0.57  0.03  0.6  1.0
  O  O7  1  0.96  0.7  0.95  1.0
  O  O8  1  0.43  0.37  0.64  1.0
  O  O9  1  0.1  0.36  0.91  1.0
  O  O10  1  0.84  0.73  0.64  1.0
  O  O11  1  0.68  1.0  0.91  1.0
  O  O12  1  0.89  0.64  0.48  1.0
  O  O13  1  0.63  0.09  0.07  1.0
  O  O14  1  0.38  0.27  0.8  1.0
  O  O15  1  0.15  0.46  0.75  1.0
  O  O16  1  0.92  0.06  0.72  1.0
  O  O17  1  0.61  0.67  0.83  1.0
  O  O18  1  0.35  0.69  0.55  1.0
  O  O19  1  0.17  0.03  1.0  1.0
  O  O20  1  0.71  0.54  0.68  1.0
  O  O21  1  0.81  0.19  0.87  1.0
  O  O22  1  0.56  0.18  0.6  1.0
  O  O23  1  0.97  0.55  0.95  1.0

data_ClO5
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.01
_cell_length_b   8.68
_cell_length_c   8.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.11
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ClO5
_chemical_formula_sum   'Cl4 O20'
_cell_volume   374.14
_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
  Cl  Cl0  2  0.37  0.11  0.04  1.0
  Cl  Cl1  2  0.39  0.38  0.32  1.0
  O  O2  2  0.02  0.33  0.66  1.0
  O  O3  2  0.03  0.32  0.81  1.0
  O  O4  2  0.04  0.6  0.97  1.0
  O  O5  2  0.05  0.6  0.82  1.0
  O  O6  2  0.19  0.28  0.33  1.0
  O  O7  2  0.2  0.36  0.0  1.0
  O  O8  2  0.2  0.55  0.31  1.0
  O  O9  2  0.22  0.64  0.63  1.0
  O  O10  2  0.41  0.52  0.91  1.0
  O  O11  2  0.43  0.8  0.73  1.0

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