data_[Al4Tl4Hg4Br16]
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 [C2/m]
_cell_length_a [15.8640]
_cell_length_b [10.2119]
_cell_length_c [8.5489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.7421]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AlTlHgBr4]
_chemical_formula_sum '[Al4 Tl4 Hg4 Br16]'
_cell_volume [1247.5014]
_cell_formula_units_Z [4]
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  4  0.1864  0.5000  0.2858  1.0
  Tl  Tl1  4  0.2092  0.5000  0.7972  1.0
  Hg  Hg2  4  0.0660  0.0000  0.8807  1.0
  Br  Br3  8  0.1774  0.3172  0.1147  1.0
  Br  Br4  4  0.0622  0.5000  0.3621  1.0
  Br  Br5  4  0.1748  0.0000  0.4609  1.0
]