data_[Cu2H24N4Cl8O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.7099]
_cell_length_b [7.7240]
_cell_length_c [7.9888]
_cell_angle_alpha [89.4807]
_cell_angle_beta [89.6454]
_cell_angle_gamma [88.6738]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CuH12N2(Cl2O)2]
_chemical_formula_sum '[Cu2 H24 N4 Cl8 O4]'
_cell_volume [475.5908]
_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  0.5130  0.4873  0.5002  1
  Cu  Cu1  1  0.9919  0.0032  0.0009  1
  H  H2  1  0.0395  0.6157  0.8441  1
  H  H3  1  0.0406  0.6166  0.1556  1
  H  H4  1  0.0528  0.4051  0.7949  1
  H  H5  1  0.0530  0.4050  0.2074  1
  H  H6  1  0.0711  0.9296  0.6798  1
  H  H7  1  0.0746  0.9289  0.3218  1
  H  H8  1  0.1088  0.5604  0.3440  1
  H  H9  1  0.1092  0.5628  0.6555  1
  H  H10  1  0.3998  0.9065  0.6960  1
  H  H11  1  0.4041  0.0628  0.8439  1
  H  H12  1  0.4044  0.0648  0.1584  1
  H  H13  1  0.4299  0.4247  0.1810  1
  H  H14  1  0.4300  0.4246  0.8228  1
  H  H15  1  0.4561  0.9541  0.3370  1
  H  H16  1  0.5000  0.0960  0.6581  1
  H  H17  1  0.5500  0.8952  0.1515  1
  H  H18  1  0.5746  0.5720  0.8207  1
  H  H19  1  0.5754  0.5710  0.1758  1
  H  H20  1  0.5896  0.9482  0.7945  1
  H  H21  1  0.6025  0.0833  0.2416  1
  H  H22  1  0.8980  0.5369  0.3001  1
  H  H23  1  0.8984  0.5378  0.7016  1
  H  H24  1  0.9216  0.0784  0.6768  1
  H  H25  1  0.9243  0.0777  0.3223  1
  N  N26  1  0.0227  0.5272  0.2514  1
  N  N27  1  0.0229  0.5274  0.7491  1
  N  N28  1  0.4750  0.0025  0.7486  1
  N  N29  1  0.5024  0.9985  0.2232  1
  Cl  Cl30  1  0.2034  0.7925  0.9990  1
  Cl  Cl31  1  0.2293  0.7871  0.4995  1
  Cl  Cl32  1  0.2775  0.2792  0.0019  1
  Cl  Cl33  1  0.3008  0.2937  0.5011  1
  Cl  Cl34  1  0.7102  0.7207  0.9945  1
  Cl  Cl35  1  0.7140  0.6970  0.4975  1
  Cl  Cl36  1  0.7835  0.2178  0.4975  1
  Cl  Cl37  1  0.7863  0.2132  0.0003  1
  O  O38  1  0.4945  0.5056  0.7497  1
  O  O39  1  0.4964  0.5054  0.2503  1
  O  O40  1  0.9965  0.0051  0.7518  1
  O  O41  1  0.9980  0.0022  0.2489  1
]