data_[Co8H16S32N32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [13.0293]
_cell_length_b [16.9451]
_cell_length_c [8.8151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2209]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CoH2(SN)4]
_chemical_formula_sum '[Co8 H16 S32 N32]'
_cell_volume [1940.9369]
_cell_formula_units_Z [8]
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
[
  Co  Co0  4  0.1072  0.1215  0.8003  1
  Co  Co1  4  0.3741  0.6346  0.0796  1
  H  H2  4  0.0676  0.6802  0.0295  1
  H  H3  4  0.0881  0.0368  0.7879  1
  H  H4  4  0.2788  0.6841  0.1249  1
  H  H5  4  0.3219  0.1464  0.7096  1
  S  S6  4  0.0528  0.6376  0.7714  1
  S  S7  4  0.0803  0.1079  0.0289  1
  S  S8  4  0.1091  0.1512  0.5551  1
  S  S9  4  0.1864  0.6807  0.3088  1
  S  S10  4  0.2862  0.1244  0.0227  1
  S  S11  4  0.3537  0.5729  0.3911  1
  S  S12  4  0.3768  0.6108  0.8448  1
  S  S13  4  0.4882  0.1972  0.4127  1
  N  N14  4  0.0183  0.6569  0.9447  1
  N  N15  4  0.1918  0.1103  0.1268  1
  N  N16  4  0.2456  0.1299  0.8501  1
  N  N17  4  0.2502  0.6251  0.4263  1
  N  N18  4  0.3443  0.1625  0.5968  1
  N  N19  4  0.3562  0.5359  0.7604  1
  N  N20  4  0.3724  0.5640  0.2195  1
  N  N21  4  0.4372  0.1630  0.5878  1
]