data_[Zn4H48C8S8N24O32]
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 [I-42d]
_cell_length_a [9.2671]
_cell_length_b [9.2671]
_cell_length_c [13.9942]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [122]
_chemical_formula_structural [ZnH12C2S2(N3O4)2]
_chemical_formula_sum '[Zn4 H48 C8 S8 N24 O32]'
_cell_volume [1201.8173]
_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  0.0000  0.0000  0.0000  1
  H  H1  16  0.0219  0.1391  0.7501  1
  H  H2  16  0.1768  0.6879  0.9445  1
  H  H3  16  0.1925  0.6960  0.5741  1
  C  C4  8  0.0077  0.2500  0.6250  1
  S  S5  8  0.0242  0.2500  0.1250  1
  N  N6  16  0.0785  0.1802  0.6938  1
  N  N7  8  0.1362  0.7500  0.6250  1
  O  O8  16  0.0776  0.6738  0.1925  1
  O  O9  16  0.1142  0.1444  0.1756  1
]