data_[Zn2H40C32S4N12]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.3484]
_cell_length_b [14.9407]
_cell_length_c [11.6426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0645]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ZnH20C16(SN3)2]
_chemical_formula_sum '[Zn2 H40 C32 S4 N12]'
_cell_volume [918.7231]
_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
[
  Zn  Zn0  2  0.4486  0.2500  0.2766  1
  H  H1  4  0.0361  0.0229  0.9096  1
  H  H2  4  0.1369  0.1723  0.4327  1
  H  H3  4  0.1863  0.5559  0.5672  1
  H  H4  4  0.2269  0.1519  0.8647  1
  H  H5  4  0.2778  0.1003  0.1055  1
  H  H6  4  0.3382  0.0955  0.5733  1
  H  H7  4  0.3840  0.6213  0.3268  1
  H  H8  4  0.4417  0.5089  0.3743  1
  H  H9  4  0.4520  0.6579  0.1598  1
  H  H10  4  0.4535  0.0713  0.9282  1
  C  C11  4  0.0086  0.5198  0.8330  1
  C  C12  4  0.0902  0.5623  0.6424  1
  C  C13  4  0.0906  0.1279  0.3579  1
  C  C14  4  0.1509  0.5061  0.7411  1
  C  C15  4  0.1692  0.0873  0.1755  1
  C  C16  4  0.3927  0.1123  0.8499  1
  C  C17  4  0.4682  0.0710  0.6494  1
  C  C18  2  0.2365  0.7500  0.9252  1
  C  C19  2  0.2395  0.7500  0.4736  1
  S  S20  2  0.0309  0.7500  0.3578  1
  S  S21  2  0.0716  0.7500  0.0293  1
  N  N22  4  0.2202  0.1419  0.2687  1
  N  N23  4  0.3348  0.0564  0.7473  1
  N  N24  2  0.3571  0.7500  0.8478  1
  N  N25  2  0.3924  0.7500  0.5596  1
]