data_[Pr1Tl1Hg2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  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 [6.7747]
_cell_length_b [6.9449]
_cell_length_c [9.1201]
_cell_angle_alpha [81.3691]
_cell_angle_beta [74.9422]
_cell_angle_gamma [87.2694]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PrTl(HgCl4)2]
_chemical_formula_sum '[Pr1 Tl1 Hg2 Cl8]'
_cell_volume [409.6546]
_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
[
  Pr  Pr0  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  1  0.0000  0.0000  0.5000  1.0
  Hg  Hg2  2  0.4702  0.4795  0.7288  1.0
  Cl  Cl3  2  0.2181  0.8235  0.1970  1.0
  Cl  Cl4  2  0.2429  0.3442  0.9664  1.0
  Cl  Cl5  2  0.2567  0.8575  0.7529  1.0
  Cl  Cl6  2  0.2702  0.3918  0.4890  1.0
]