data_[Li2Hg1Pd1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [P1]
_cell_length_a [6.3181]
_cell_length_b [6.9257]
_cell_length_c [7.1997]
_cell_angle_alpha [82.1823]
_cell_angle_beta [74.8808]
_cell_angle_gamma [63.9797]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2HgPdCl6]
_chemical_formula_sum '[Li2 Hg1 Pd1 Cl6]'
_cell_volume [273.2239]
_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
[
  Li  Li0  1  0.5946  0.4478  0.4284  1.0
  Li  Li1  1  0.9598  0.8698  0.1736  1.0
  Hg  Hg2  1  0.8365  0.5385  0.8130  1.0
  Pd  Pd3  1  0.3217  0.0175  0.3279  1.0
  Cl  Cl4  1  0.0067  0.7644  0.8531  1.0
  Cl  Cl5  1  0.2712  0.3131  0.4824  1.0
  Cl  Cl6  1  0.3804  0.7144  0.1792  1.0
  Cl  Cl7  1  0.6475  0.3334  0.7619  1.0
  Cl  Cl8  1  0.6744  0.8038  0.4316  1.0
  Cl  Cl9  1  0.9686  0.2125  0.2106  1.0
]