data_[Cu2H16C8N4O16]
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 [P2_1/c]
_cell_length_a [4.7932]
_cell_length_b [13.1582]
_cell_length_c [6.4168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5290]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CuH8C4(NO4)2]
_chemical_formula_sum '[Cu2 H16 C8 N4 O16]'
_cell_volume [403.4409]
_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  2  0.0000  0.0000  0.0000  1
  H  H1  4  0.0472  0.7462  0.0778  1
  H  H2  4  0.0993  0.6164  0.1054  1
  H  H3  4  0.1669  0.1633  0.5627  1
  H  H4  4  0.1866  0.1712  0.3084  1
  C  C5  4  0.3968  0.6244  0.6893  1
  C  C6  4  0.4953  0.5149  0.7368  1
  N  N7  4  0.0464  0.1746  0.4221  1
  O  O8  4  0.1603  0.6309  0.5777  1
  O  O9  4  0.2750  0.0003  0.6619  1
  O  O10  4  0.3314  0.0551  0.1596  1
  O  O11  4  0.4638  0.1983  0.7431  1
]