data_[Cu4H20C28S4N8O4]
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
  S  2.5800  1.0000  0.8800
  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 [8.0488]
_cell_length_b [12.5770]
_cell_length_c [8.2893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2998]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CuH5C7SN2O]
_chemical_formula_sum '[Cu4 H20 C28 S4 N8 O4]'
_cell_volume [781.8025]
_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  0.4308  0.6367  0.3851  1
  H  H1  4  0.0144  0.0520  0.2576  1
  H  H2  4  0.0551  0.7402  0.2011  1
  H  H3  4  0.1296  0.1155  0.7317  1
  H  H4  4  0.1849  0.5790  0.6656  1
  H  H5  4  0.3784  0.1676  0.6370  1
  C  C6  4  0.0528  0.2216  0.2538  1
  C  C7  4  0.0905  0.1162  0.2289  1
  C  C8  4  0.1549  0.1994  0.7175  1
  C  C9  4  0.2270  0.0938  0.1677  1
  C  C10  4  0.2627  0.5161  0.6313  1
  C  C11  4  0.2936  0.2279  0.6625  1
  C  C12  4  0.3162  0.6572  0.0220  1
  S  S13  4  0.2696  0.5577  0.1253  1
  N  N14  4  0.3301  0.1710  0.1370  1
  N  N15  4  0.3505  0.7289  0.9470  1
  O  O16  4  0.3736  0.5386  0.5654  1
]