data_[Cs4Tl2Te2Br12]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [8.2426]
_cell_length_b [8.3717]
_cell_length_c [12.6309]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Cs2TlTeBr6]
_chemical_formula_sum '[Cs4 Tl2 Te2 Br12]'
_cell_volume [871.5927]
_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  0.5000  0.2560  1.0
  Tl  Tl1  2  0.0000  0.0000  0.5000  1.0
  Te  Te2  2  0.0000  0.0000  0.0000  1.0
  Br  Br3  8  0.2351  0.2306  0.0000  1.0
  Br  Br4  4  0.0000  0.0000  0.2578  1.0
]