data_[Cu1H6C14N2O8]
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
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0191]
_cell_length_b [6.8371]
_cell_length_c [9.7491]
_cell_angle_alpha [101.8262]
_cell_angle_beta [97.9687]
_cell_angle_gamma [110.6823]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CuH6C14(NO4)2]
_chemical_formula_sum '[Cu1 H6 C14 N2 O8]'
_cell_volume [298.0982]
_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
[
  Cu  Cu0  1  0.0000  0.5000  0.0000  1
  H  H1  2  0.1896  0.3667  0.4633  1
  H  H2  2  0.3200  0.8978  0.5531  1
  H  H3  2  0.4156  0.1885  0.0280  1
  C  C4  2  0.0102  0.3252  0.3712  1
  C  C5  2  0.0623  0.4152  0.2581  1
  C  C6  2  0.2105  0.9664  0.2243  1
  C  C7  2  0.2714  0.8218  0.6395  1
  C  C8  2  0.3541  0.5670  0.2512  1
  C  C9  2  0.4212  0.7769  0.8740  1
  C  C10  2  0.4885  0.8724  0.7625  1
  N  N11  2  0.1488  0.6361  0.8603  1
  O  O12  2  0.0162  0.8973  0.1066  1
  O  O13  2  0.1534  0.8940  0.3303  1
  O  O14  2  0.3616  0.6106  0.1251  1
  O  O15  2  0.4272  0.3584  0.6502  1
]