data_[Na1Tl1Hg2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4715]
_cell_length_b [7.0073]
_cell_length_c [8.1565]
_cell_angle_alpha [95.7662]
_cell_angle_beta [99.7858]
_cell_angle_gamma [90.8447]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NaTl(HgCl4)2]
_chemical_formula_sum '[Na1 Tl1 Hg2 Cl8]'
_cell_volume [362.4592]
_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
[
  Na  Na0  1  0.0000  0.0000  0.5000  1.0
  Tl  Tl1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.4874  0.5011  0.2506  1.0
  Cl  Cl3  2  0.2135  0.8513  0.7873  1.0
  Cl  Cl4  2  0.2366  0.8686  0.2476  1.0
  Cl  Cl5  2  0.2509  0.3588  0.0136  1.0
  Cl  Cl6  2  0.2624  0.3620  0.5212  1.0
]