data_[Cs2Tl6In4Cl12]
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
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.3759]
_cell_length_b [4.6694]
_cell_length_c [9.3660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5833]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsTl3(InCl3)2]
_chemical_formula_sum '[Cs2 Tl6 In4 Cl12]'
_cell_volume [866.1865]
_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  0.5000  0.0000  1.0
  Tl  Tl1  4  0.1677  0.0000  0.8301  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  In  In3  4  0.1692  0.0000  0.3376  1.0
  Cl  Cl4  4  0.0020  0.0000  0.2669  1.0
  Cl  Cl5  4  0.1710  0.5000  0.5772  1.0
  Cl  Cl6  4  0.1741  0.5000  0.0832  1.0
]