data_[Al1Tl1Hg2Br4]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.7583]
_cell_length_b [6.8214]
_cell_length_c [7.6042]
_cell_angle_alpha [93.3614]
_cell_angle_beta [101.1445]
_cell_angle_gamma [109.6617]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [AlTl(HgBr2)2]
_chemical_formula_sum '[Al1 Tl1 Hg2 Br4]'
_cell_volume [320.9859]
_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  0.9837  0.2788  0.2756  1.0
  Tl  Tl1  1  0.3869  0.0216  0.5842  1.0
  Hg  Hg2  1  0.1164  0.6839  0.8409  1.0
  Hg  Hg3  1  0.5755  0.5250  0.7927  1.0
  Br  Br4  1  0.3208  0.2878  0.2397  1.0
  Br  Br5  1  0.7158  0.0600  0.0377  1.0
  Br  Br6  1  0.9304  0.1405  0.5472  1.0
  Br  Br7  1  0.9704  0.6153  0.2950  1.0
]