data_[Cu4H28C12N4O24]
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_12_12_1]
_cell_length_a [7.3312]
_cell_length_b [8.1912]
_cell_length_c [13.3013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [CuH7C3NO6]
_chemical_formula_sum '[Cu4 H28 C12 N4 O24]'
_cell_volume [798.7663]
_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
[
  Cu  Cu0  4  0.0032  0.5156  0.4191  1
  H  H1  4  0.0385  0.6036  0.6947  1
  H  H2  4  0.0403  0.9162  0.8011  1
  H  H3  4  0.0659  0.2494  0.2649  1
  H  H4  4  0.1029  0.4852  0.7913  1
  H  H5  4  0.1192  0.0551  0.7163  1
  H  H6  4  0.1933  0.2548  0.9503  1
  H  H7  4  0.1997  0.2523  0.5291  1
  C  C8  4  0.0828  0.7715  0.2365  1
  C  C9  4  0.2294  0.7375  0.9558  1
  C  C10  4  0.2375  0.7405  0.5237  1
  N  N11  4  0.0043  0.0146  0.7558  1
  O  O12  4  0.1040  0.6427  0.5355  1
  O  O13  4  0.1090  0.8398  0.9332  1
  O  O14  4  0.1448  0.8850  0.1784  1
  O  O15  4  0.1822  0.6884  0.2935  1
  O  O16  4  0.2080  0.1674  0.0943  1
  O  O17  4  0.2227  0.3813  0.3982  1
]