data_[Tl1Ni1Hg2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ni  1.9100  1.3500  0.7400
  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 [6.7831]
_cell_length_b [7.5373]
_cell_length_c [8.6066]
_cell_angle_alpha [82.6484]
_cell_angle_beta [73.7400]
_cell_angle_gamma [85.4523]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlNi(HgCl4)2]
_chemical_formula_sum '[Tl1 Ni1 Hg2 Cl8]'
_cell_volume [418.5195]
_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
  Ni  Ni1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.4792  0.5376  0.7725  1.0
  Cl  Cl3  2  0.1624  0.8446  0.1547  1.0
  Cl  Cl4  2  0.2289  0.9062  0.7847  1.0
  Cl  Cl5  2  0.2676  0.3762  0.9994  1.0
  Cl  Cl6  2  0.3050  0.3392  0.4737  1.0
]