data_[Al4Tl4Hg4Cl16]
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 [C2/m]
_cell_length_a [14.9503]
_cell_length_b [9.6190]
_cell_length_c [8.3484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.5154]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AlTlHgCl4]
_chemical_formula_sum '[Al4 Tl4 Hg4 Cl16]'
_cell_volume [1092.3351]
_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  0.1839  0.5000  0.2850  1.0
  Tl  Tl1  4  0.2037  0.5000  0.7949  1.0
  Hg  Hg2  4  0.0635  0.0000  0.8658  1.0
  Cl  Cl3  8  0.1789  0.3199  0.1253  1.0
  Cl  Cl4  4  0.0602  0.5000  0.3552  1.0
  Cl  Cl5  4  0.1839  0.0000  0.4747  1.0
]