data_[Cs6Al2Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Al  1.6100  1.2500  0.6750
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [7.2375]
_cell_length_b [8.0538]
_cell_length_c [11.7591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Cs3AlTl4]
_chemical_formula_sum '[Cs6 Al2 Tl8]'
_cell_volume [685.4330]
_cell_formula_units_Z [2]
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
[
  Cs  Cs0  4  0.0000  0.2461  0.4356  1.0
  Cs  Cs1  2  0.0000  0.0000  0.0870  1.0
  Al  Al2  2  0.0000  0.5000  0.9755  1.0
  Tl  Tl3  4  0.0000  0.2858  0.7751  1.0
  Tl  Tl4  4  0.2352  0.5000  0.1813  1.0
]