data_[Cs1Tl1Te1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [6.7719]
_cell_length_b [6.7719]
_cell_length_c [4.6912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [CsTlTeF6]
_chemical_formula_sum '[Cs1 Tl1 Te1 F6]'
_cell_volume [186.3107]
_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  0.3333  0.6667  0.1134  1.0
  Tl  Tl1  1  0.0000  0.0000  0.6767  1.0
  Te  Te2  1  0.6667  0.3333  0.4044  1.0
  F  F3  3  0.3204  0.1018  0.2591  1.0
  F  F4  3  0.4954  0.4208  0.6760  1.0
]