data_CuH10C4(ClO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32
_cell_length_b   7.44
_cell_length_c   9.54
_cell_angle_alpha   104.61
_cell_angle_beta   105.88
_cell_angle_gamma   99.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuH10C4(ClO2)2
_chemical_formula_sum   'Cu2 H20 C8 Cl4 O8'
_cell_volume   404.68
_cell_formula_units_Z   2
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
  Cu  Cu0  1  0.37  0.77  0.87  1.0
  Cu  Cu1  1  0.13  0.71  0.85  1.0
  H  H2  1  0.78  0.28  0.84  1.0
  H  H3  1  0.72  0.19  0.87  1.0
  H  H4  1  0.19  0.53  0.68  1.0
  H  H5  1  0.31  0.95  0.03  1.0
  H  H6  1  0.93  0.52  0.92  1.0
  H  H7  1  0.57  0.96  0.79  1.0
  H  H8  1  0.71  0.23  0.23  1.0
  H  H9  1  0.79  0.25  0.48  1.0
  H  H10  1  0.8  0.49  0.8  1.0
  H  H11  1  0.71  0.99  0.92  1.0
  H  H12  1  0.43  0.02  0.05  1.0
  H  H13  1  0.07  0.45  0.67  1.0
  H  H14  1  0.54  0.01  0.67  1.0
  H  H15  1  0.97  0.47  0.05  1.0
  H  H16  1  0.99  0.16  0.89  1.0
  H  H17  1  0.52  0.31  0.83  1.0
  H  H18  1  0.51  0.91  0.8  1.0
  H  H19  1  0.99  0.57  0.92  1.0
  H  H20  1  0.53  0.47  0.82  1.0
  H  H21  1  0.97  0.0  0.9  1.0
  C  C22  1  0.21  0.62  0.6  1.0
  C  C23  1  0.29  0.86  0.11  1.0
  C  C24  1  0.0  0.59  0.15  1.0
  C  C25  1  0.5  0.89  0.57  1.0
  C  C26  1  0.12  0.75  0.88  1.0
  C  C27  1  0.38  0.73  0.84  1.0
  C  C28  1  0.44  0.37  0.77  1.0
  C  C29  1  0.06  0.11  0.95  1.0
  Cl  Cl30  1  0.76  0.53  0.73  1.0
  Cl  Cl31  1  0.74  0.94  0.98  1.0
  Cl  Cl32  1  0.52  0.6  0.06  1.0
  Cl  Cl33  1  0.98  0.87  0.66  1.0
  O  O34  1  0.17  0.25  0.14  1.0
  O  O35  1  0.34  0.22  0.58  1.0
  O  O36  1  0.4  0.46  0.97  1.0
  O  O37  1  0.11  0.01  0.74  1.0
  O  O38  1  0.69  0.68  0.74  1.0
  O  O39  1  0.81  0.79  0.97  1.0
  O  O40  1  0.05  0.5  0.84  1.0
  O  O41  1  0.45  0.97  0.87  1.0

data_CuH10C4(ClO2)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.32
_cell_length_b   7.44
_cell_length_c   9.54
_cell_angle_alpha   104.61
_cell_angle_beta   105.88
_cell_angle_gamma   99.35
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CuH10C4(ClO2)2
_chemical_formula_sum   'Cu2 H20 C8 Cl4 O8'
_cell_volume   404.68
_cell_formula_units_Z   2
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
  Cu  Cu0  2  0.12  0.53  0.51  1.0
  H  H1  2  0.06  0.71  0.67  1.0
  H  H2  2  0.18  0.78  0.69  1.0
  H  H3  2  0.26  0.67  0.44  1.0
  H  H4  2  0.26  0.08  0.47  1.0
  H  H5  2  0.28  0.23  0.46  1.0
  H  H6  2  0.29  0.77  0.31  1.0
  H  H7  2  0.32  0.72  0.44  1.0
  H  H8  2  0.46  0.75  0.56  1.0
  H  H9  2  0.46  0.99  0.87  1.0
  H  H10  2  0.47  0.96  0.52  1.0
  C  C11  2  0.04  0.62  0.75  1.0
  C  C12  2  0.13  0.49  0.48  1.0
  C  C13  2  0.19  0.13  0.41  1.0
  C  C14  2  0.25  0.65  0.21  1.0
  Cl  Cl15  2  0.27  0.36  0.7  1.0
  Cl  Cl16  2  0.49  0.7  0.63  1.0
  O  O17  2  0.09  0.98  0.22  1.0
  O  O18  2  0.14  0.22  0.62  1.0
  O  O19  2  0.2  0.74  0.52  1.0
  O  O20  2  0.44  0.44  0.39  1.0

Cu Cu H H H H H H H H H H H H H H H H H H H H C C C C C C C C Cl Cl Cl Cl O O O O O O O O