data_[Hg1H2Pd1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7794]
_cell_length_b [6.9016]
_cell_length_c [7.4713]
_cell_angle_alpha [88.8242]
_cell_angle_beta [73.4064]
_cell_angle_gamma [80.3778]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HgH2PdCl8]
_chemical_formula_sum '[Hg1 H2 Pd1 Cl8]'
_cell_volume [330.1633]
_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
[
  Hg  Hg0  1  0.0000  0.0000  0.5000  1.0
  H  H1  2  0.2559  0.6503  0.2208  1.0
  Pd  Pd2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.1943  0.1285  0.1690  1.0
  Cl  Cl4  2  0.2157  0.1015  0.7216  1.0
  Cl  Cl5  2  0.2248  0.6955  0.9645  1.0
  Cl  Cl6  2  0.2725  0.6283  0.3956  1.0
]