data_[Tl3Ag1Hg2Cl9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.4295]
_cell_length_b [7.4295]
_cell_length_c [9.1883]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Tl3AgHg2Cl9]
_chemical_formula_sum '[Tl3 Ag1 Hg2 Cl9]'
_cell_volume [439.2267]
_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  2  0.3333  0.6667  0.3675  1.0
  Tl  Tl1  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  1  0.0000  0.0000  0.5000  1.0
  Hg  Hg3  2  0.3333  0.6667  0.8305  1.0
  Cl  Cl4  6  0.1669  0.3337  0.6610  1.0
  Cl  Cl5  3  0.0000  0.5000  0.0000  1.0
]