data_[Cs4Tl4Fe8Cl24]
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
  Fe  1.8300  1.4000  0.8525
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.0346]
_cell_length_b [13.8112]
_cell_length_c [7.2934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5798]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsTl(FeCl3)2]
_chemical_formula_sum '[Cs4 Tl4 Fe8 Cl24]'
_cell_volume [1384.9451]
_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  0.0000  0.1836  0.2500  1.0
  Tl  Tl1  4  0.0000  0.3978  0.7500  1.0
  Fe  Fe2  8  0.2139  0.0834  0.7674  1.0
  Cl  Cl3  8  0.1211  0.4135  0.1755  1.0
  Cl  Cl4  8  0.1487  0.2302  0.6897  1.0
  Cl  Cl5  8  0.1498  0.0220  0.0196  1.0
]