data_[Cs1Ti1Tl2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ti  1.5400  1.4000  0.8517
  Tl  1.6200  1.9000  1.3325
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5295]
_cell_length_b [5.8195]
_cell_length_c [7.4159]
_cell_angle_alpha [92.3465]
_cell_angle_beta [91.0529]
_cell_angle_gamma [93.9061]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsTiTl2F8]
_chemical_formula_sum '[Cs1 Ti1 Tl2 F8]'
_cell_volume [237.8332]
_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
[
  Cs  Cs0  1  0.0000  0.0000  0.5000  1
  Ti  Ti1  1  0.0000  0.0000  0.0000  1
  Tl  Tl2  2  0.4905  0.5130  0.2295  1
  F  F3  2  0.0926  0.2532  0.1657  1
  F  F4  2  0.1712  0.7997  0.1419  1
  F  F5  2  0.2752  0.0716  0.8619  1
  F  F6  2  0.4432  0.7116  0.5080  1
]