data_[H2Pd8I10]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.2519]
_cell_length_b [4.0435]
_cell_length_c [8.0663]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8564]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HPd4I5]
_chemical_formula_sum '[H2 Pd8 I10]'
_cell_volume [562.4020]
_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  4  0.0338  0.0000  0.2648  1
  Pd  Pd1  4  0.0903  0.5000  0.0751  1
  H  H2  2  0.0000  0.5000  0.0000  1
  I  I3  4  0.1135  0.0000  0.8581  1
  I  I4  4  0.1827  0.0000  0.3236  1
  I  I5  2  0.0000  0.5000  0.5000  1
]