data_[Zn4H48C12S16N24O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  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 [Pca2_1]
_cell_length_a [11.1349]
_cell_length_b [7.7747]
_cell_length_c [15.6561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [29]
_chemical_formula_structural [ZnH12C3S4(N3O2)2]
_chemical_formula_sum '[Zn4 H48 C12 S16 N24 O16]'
_cell_volume [1355.3576]
_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
[
  Zn  Zn0  4  0.0677  0.3451  0.3508  1
  H  H1  4  0.0362  0.3834  0.7715  1
  H  H2  4  0.0377  0.1394  0.0619  1
  H  H3  4  0.0575  0.3261  0.6641  1
  H  H4  4  0.0839  0.9215  0.9185  1
  H  H5  4  0.1148  0.7083  0.0776  1
  H  H6  4  0.1453  0.8149  0.4930  1
  H  H7  4  0.1507  0.6610  0.4092  1
  H  H8  4  0.1544  0.2904  0.0505  1
  H  H9  4  0.2027  0.0551  0.2624  1
  H  H10  4  0.2128  0.9864  0.6743  1
  H  H11  4  0.2176  0.0337  0.8993  1
  H  H12  4  0.2466  0.5966  0.1082  1
  C  C13  4  0.0062  0.3344  0.9767  1
  C  C14  4  0.1150  0.6037  0.1983  1
  C  C15  4  0.1363  0.9383  0.7918  1
  S  S16  4  0.0157  0.8321  0.7457  1
  S  S17  4  0.0794  0.4966  0.9211  1
  S  S18  4  0.1285  0.1571  0.5227  1
  S  S19  4  0.2074  0.5105  0.2752  1
  N  N20  4  0.0005  0.6431  0.2132  1
  N  N21  4  0.0681  0.2534  0.0373  1
  N  N22  4  0.1065  0.7134  0.4601  1
  N  N23  4  0.1482  0.9597  0.8758  1
  N  N24  4  0.1630  0.6410  0.1224  1
  N  N25  4  0.2204  0.0000  0.7393  1
  O  O26  4  0.0027  0.8760  0.0296  1
  O  O27  4  0.1599  0.1863  0.4285  1
  O  O28  4  0.1643  0.3110  0.5726  1
  O  O29  4  0.1985  0.0035  0.5501  1
]