data_[K8Cr4H20C16S16N16O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cr  1.6600  1.4000  0.9400
  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 [P-1]
_cell_length_a [10.7210]
_cell_length_b [12.9843]
_cell_length_c [13.0995]
_cell_angle_alpha [66.8294]
_cell_angle_beta [85.2932]
_cell_angle_gamma [78.7228]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K2CrH5C4S4N4O3]
_chemical_formula_sum '[K8 Cr4 H20 C16 S16 N16 O12]'
_cell_volume [1644.0258]
_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
[
  K  K0  2  0.0300  0.2769  0.5202  1
  K  K1  2  0.1800  0.9246  0.1411  1
  K  K2  2  0.2768  0.8076  0.6733  1
  K  K3  2  0.4588  0.3896  0.8356  1
  Cr  Cr4  2  0.1069  0.4259  0.9589  1
  Cr  Cr5  2  0.3970  0.0964  0.5136  1
  H  H6  2  0.0075  0.2005  0.3100  1
  H  H7  2  0.0238  0.6681  0.7566  1
  H  H8  2  0.0437  0.2339  0.7885  1
  H  H9  2  0.0783  0.6762  0.2569  1
  H  H10  2  0.1034  0.4620  0.1372  1
  H  H11  2  0.3599  0.5879  0.5881  1
  H  H12  2  0.3973  0.8575  0.9865  1
  H  H13  2  0.4773  0.0727  0.3329  1
  H  H14  2  0.4797  0.8724  0.0695  1
  H  H15  2  0.4855  0.6070  0.6217  1
  C  C16  2  0.0500  0.7746  0.9692  1
  C  C17  2  0.1620  0.4449  0.7075  1
  C  C18  2  0.1778  0.0183  0.4224  1
  C  C19  2  0.2839  0.1181  0.7340  1
  C  C20  2  0.2899  0.3540  0.3454  1
  C  C21  2  0.3080  0.2033  0.0905  1
  C  C22  2  0.3164  0.5839  0.9224  1
  C  C23  2  0.4230  0.7848  0.4032  1
  S  S24  2  0.0687  0.9935  0.3613  1
  S  S25  2  0.1133  0.8879  0.9113  1
  S  S26  2  0.1819  0.4668  0.5773  1
  S  S27  2  0.2493  0.4837  0.2571  1
  S  S28  2  0.2705  0.1355  0.8499  1
  S  S29  2  0.3520  0.7094  0.3615  1
  S  S30  2  0.3894  0.0803  0.1639  1
  S  S31  2  0.4311  0.6541  0.9028  1
  N  N32  2  0.0046  0.6915  0.0131  1
  N  N33  2  0.1505  0.4284  0.8034  1
  N  N34  2  0.2329  0.5320  0.9338  1
  N  N35  2  0.2499  0.2931  0.0341  1
  N  N36  2  0.2561  0.0384  0.4673  1
  N  N37  2  0.2908  0.1066  0.6477  1
  N  N38  2  0.3202  0.2590  0.4101  1
  N  N39  2  0.4727  0.8384  0.4379  1
  O  O40  2  0.0343  0.7510  0.2533  1
  O  O41  2  0.0387  0.4413  0.1032  1
  O  O42  2  0.0404  0.7289  0.6848  1
  O  O43  2  0.4007  0.5932  0.6498  1
  O  O44  2  0.4106  0.8343  0.0662  1
  O  O45  2  0.4788  0.9325  0.6017  1
]