data_[H12Pd1N10O8]
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
  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 [6.5558]
_cell_length_b [7.0012]
_cell_length_c [7.1477]
_cell_angle_alpha [97.3150]
_cell_angle_beta [110.9070]
_cell_angle_gamma [114.3334]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [H12Pd(N5O4)2]
_chemical_formula_sum '[H12 Pd1 N10 O8]'
_cell_volume [264.3424]
_cell_formula_units_Z [1]
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
[
  H  H0  2  0.0272  0.2903  0.2887  1
  H  H1  2  0.0878  0.7623  0.2354  1
  H  H2  2  0.1601  0.2253  0.7727  1
  H  H3  2  0.1916  0.4018  0.9712  1
  H  H4  2  0.2239  0.9524  0.7760  1
  H  H5  2  0.2345  0.7970  0.9313  1
  Pd  Pd6  1  0.0000  0.0000  0.0000  1
  N  N7  2  0.0747  0.2443  0.8633  1
  N  N8  2  0.1213  0.8470  0.8350  1
  N  N9  2  0.3252  0.6217  0.3756  1
  N  N10  2  0.3811  0.6847  0.5893  1
  N  N11  2  0.4922  0.2556  0.6725  1
  O  O12  2  0.2539  0.5289  0.6381  1
  O  O13  2  0.2699  0.1198  0.5428  1
  O  O14  2  0.4366  0.6999  0.1291  1
  O  O15  2  0.4732  0.1227  0.2894  1
]