data_[Cs2Tl10I12]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9127]
_cell_length_b [15.3834]
_cell_length_c [8.8860]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5002]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsTl5I6]
_chemical_formula_sum '[Cs2 Tl10 I12]'
_cell_volume [1148.4565]
_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  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.0000  0.1627  0.5000  1.0
  Tl  Tl2  4  0.0000  0.3321  0.0000  1.0
  Tl  Tl3  2  0.0000  0.5000  0.5000  1.0
  I  I4  8  0.2376  0.3249  0.7393  1.0
  I  I5  4  0.2321  0.5000  0.2514  1.0
]