data_[H58Pd6S6N18O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
  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 [6.9337]
_cell_length_b [10.4849]
_cell_length_c [14.2268]
_cell_angle_alpha [93.1586]
_cell_angle_beta [101.1822]
_cell_angle_gamma [91.8414]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [H29Pd3S3N9O10]
_chemical_formula_sum '[H58 Pd6 S6 N18 O20]'
_cell_volume [1012.1246]
_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
[
  Pd  Pd0  2  0.0110  0.7637  0.1656  1
  H  H1  2  0.0123  0.0049  0.1119  1
  H  H2  2  0.0130  0.4801  0.9026  1
  H  H3  2  0.0210  0.2737  0.6537  1
  H  H4  2  0.0782  0.0051  0.7878  1
  H  H5  2  0.0823  0.1830  0.5116  1
  H  H6  2  0.0880  0.8897  0.5753  1
  H  H7  2  0.0954  0.7337  0.8220  1
  H  H8  2  0.1016  0.7327  0.5412  1
  H  H9  2  0.1136  0.4627  0.8049  1
  H  H10  2  0.1323  0.8525  0.3487  1
  H  H11  2  0.1329  0.5393  0.2058  1
  Pd  Pd12  2  0.1538  0.2409  0.3449  1
  H  H13  2  0.1616  0.9950  0.2174  1
  H  H14  2  0.1719  0.6494  0.7346  1
  H  H15  2  0.2089  0.8072  0.7466  1
  H  H16  2  0.2122  0.7068  0.3322  1
  H  H17  2  0.2589  0.2929  0.1779  1
  H  H18  2  0.2685  0.5057  0.5366  1
  H  H19  2  0.3202  0.5684  0.4457  1
  H  H20  2  0.3375  0.6436  0.0360  1
  H  H21  2  0.3472  0.8773  0.0393  1
  H  H22  2  0.3832  0.2135  0.5105  1
  H  H23  2  0.4104  0.1072  0.9602  1
  H  H24  2  0.4138  0.3636  0.2694  1
  H  H25  2  0.4221  0.3700  0.9639  1
  H  H26  2  0.4237  0.2063  0.2437  1
  H  H27  2  0.4504  0.1178  0.4252  1
  Pd  Pd28  2  0.4581  0.2291  0.8073  1
  H  H29  2  0.4675  0.5366  0.1027  1
  H  H30  2  0.4807  0.7236  0.5584  1
  H  H31  2  0.4888  0.9904  0.1128  1
  S  S32  2  0.0720  0.2422  0.9967  1
  S  S33  2  0.3945  0.0572  0.6949  1
  S  S34  2  0.4130  0.3869  0.6997  1
  N  N35  2  0.0035  0.5652  0.1642  1
  N  N36  2  0.0086  0.8043  0.5530  1
  N  N37  2  0.0283  0.9633  0.1766  1
  N  N38  2  0.0923  0.7632  0.3175  1
  N  N39  2  0.1082  0.7334  0.7507  1
  N  N40  2  0.3302  0.2806  0.2470  1
  N  N41  2  0.4076  0.2087  0.4416  1
  N  N42  2  0.4713  0.6260  0.0777  1
  N  N43  2  0.4834  0.8995  0.0815  1
  O  O44  2  0.1132  0.7543  0.9621  1
  O  O45  2  0.1824  0.1262  0.0274  1
  O  O46  2  0.1952  0.0571  0.6311  1
  O  O47  2  0.1979  0.3612  0.0342  1
  O  O48  2  0.2740  0.3525  0.6067  1
  O  O49  2  0.2773  0.5882  0.5067  1
  O  O50  2  0.3375  0.5005  0.7499  1
  O  O51  2  0.3881  0.5716  0.3206  1
  O  O52  2  0.4007  0.9377  0.7518  1
  O  O53  2  0.4483  0.9478  0.3636  1
]