data_[Hg2Pd2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.1747]
_cell_length_b [4.6176]
_cell_length_c [15.2251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5109]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [HgPdI4]
_chemical_formula_sum '[Hg2 Pd2 I8]'
_cell_volume [462.5372]
_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
[
  Hg  Hg0  2  0.5000  0.0000  0.5000  1.0
  Pd  Pd1  2  0.0000  0.0000  0.0000  1.0
  I  I2  4  0.1867  0.0015  0.8820  1.0
  I  I3  4  0.2823  0.6515  0.1193  1.0
]