data_[Al2Tl3Cl3]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.6495]
_cell_length_b [9.9227]
_cell_length_c [20.4673]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Al2(TlCl)3]
_chemical_formula_sum '[Al2 Tl3 Cl3]'
_cell_volume [741.1764]
_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  0.0000  0.5000  0.4604  1
  Al  Al1  1  0.5000  0.0000  0.5593  1
  Tl  Tl2  2  0.5000  0.2689  0.4775  1
  Tl  Tl3  1  0.0000  0.0000  0.4276  1
  Cl  Cl4  2  0.5000  0.1783  0.6216  1
  Cl  Cl5  1  0.0000  0.5000  0.3545  1
]