data_[Al1Tl1Hg2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  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 [P1]
_cell_length_a [6.3502]
_cell_length_b [6.8957]
_cell_length_c [7.4832]
_cell_angle_alpha [98.1317]
_cell_angle_beta [99.5019]
_cell_angle_gamma [109.9671]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [AlTl(HgCl2)2]
_chemical_formula_sum '[Al1 Tl1 Hg2 Cl4]'
_cell_volume [296.7592]
_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
[
  Al  Al0  1  0.9994  0.2743  0.2618  1.0
  Tl  Tl1  1  0.3713  0.0349  0.5998  1.0
  Hg  Hg2  1  0.0894  0.6928  0.8462  1.0
  Hg  Hg3  1  0.5324  0.5236  0.8465  1.0
  Cl  Cl4  1  0.3423  0.2799  0.2668  1.0
  Cl  Cl5  1  0.7730  0.0891  0.0004  1.0
  Cl  Cl6  1  0.8922  0.1282  0.4888  1.0
  Cl  Cl7  1  0.9999  0.5901  0.3027  1.0
]