data_[Tl1Hg2Pd1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  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 [6.5699]
_cell_length_b [7.6115]
_cell_length_c [7.9684]
_cell_angle_alpha [86.3588]
_cell_angle_beta [79.7865]
_cell_angle_gamma [87.7934]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlHg2PdCl8]
_chemical_formula_sum '[Tl1 Hg2 Pd1 Cl8]'
_cell_volume [391.2163]
_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
[
  Tl  Tl0  1  0.0000  0.0000  0.5000  1.0
  Hg  Hg1  2  0.4994  0.4599  0.2403  1.0
  Pd  Pd2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.2199  0.8880  0.1814  1.0
  Cl  Cl4  2  0.2332  0.8974  0.7699  1.0
  Cl  Cl5  2  0.2619  0.3913  0.9682  1.0
  Cl  Cl6  2  0.2719  0.3451  0.4797  1.0
]