data_[Cs2Al2Tl4F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.0239]
_cell_length_b [7.0571]
_cell_length_c [11.0119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.5756]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsAlTl2F6]
_chemical_formula_sum '[Cs2 Al2 Tl4 F12]'
_cell_volume [394.4858]
_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  2  0.5000  0.0000  0.0000  1.0
  Al  Al1  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  4  0.2621  0.0291  0.2718  1.0
  F  F3  4  0.0683  0.2024  0.4187  1.0
  F  F4  4  0.2495  0.0884  0.6820  1.0
  F  F5  4  0.2600  0.6365  0.9965  1.0
]