data_[Cs2Ti2Tl2]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.4867]
_cell_length_b [4.5340]
_cell_length_c [14.0967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5402]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsTiTl]
_chemical_formula_sum '[Cs2 Ti2 Tl2]'
_cell_volume [222.7755]
_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  0.4652  0.2500  0.6787  1
  Ti  Ti1  2  0.4939  0.2500  0.9621  1
  Tl  Tl2  2  0.0164  0.2500  0.1350  1
]