data_[Cs4Tl4In4Br12]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.7152]
_cell_length_b [5.0515]
_cell_length_c [10.4236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1196]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsTlInBr3]
_chemical_formula_sum '[Cs4 Tl4 In4 Br12]'
_cell_volume [1024.1961]
_cell_formula_units_Z [4]
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  0.1565  0.5000  0.0668  1.0
  Tl  Tl1  4  0.1583  0.5000  0.5414  1.0
  In  In2  4  0.0071  0.0000  0.3420  1.0
  Br  Br3  4  0.0114  0.5000  0.1913  1.0
  Br  Br4  4  0.1507  0.0000  0.7864  1.0
  Br  Br5  4  0.1825  0.0000  0.3440  1.0
]