data_[Y1Tl1Hg2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [6.7880]
_cell_length_b [6.7894]
_cell_length_c [9.0162]
_cell_angle_alpha [81.9435]
_cell_angle_beta [73.5884]
_cell_angle_gamma [87.2937]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [YTl(HgCl4)2]
_chemical_formula_sum '[Y1 Tl1 Hg2 Cl8]'
_cell_volume [394.6477]
_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
[
  Y  Y0  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  1  0.0000  0.0000  0.5000  1.0
  Hg  Hg2  2  0.4636  0.4764  0.7346  1.0
  Cl  Cl3  2  0.2021  0.8177  0.1865  1.0
  Cl  Cl4  2  0.2356  0.3337  0.9765  1.0
  Cl  Cl5  2  0.2563  0.8655  0.7557  1.0
  Cl  Cl6  2  0.2671  0.4003  0.4875  1.0
]