data_[Hg4Pd2I16]
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 [C2/m]
_cell_length_a [13.2127]
_cell_length_b [11.0867]
_cell_length_c [7.3438]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3676]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hg2PdI8]
_chemical_formula_sum '[Hg4 Pd2 I16]'
_cell_volume [1042.1141]
_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  4  0.2089  0.0000  0.6901  1.0
  Pd  Pd1  2  0.0000  0.0000  0.0000  1.0
  I  I2  8  0.0768  0.1743  0.8121  1.0
  I  I3  4  0.0834  0.5000  0.2890  1.0
  I  I4  4  0.1886  0.0000  0.2723  1.0
]