data_[Cs16Tl4Sb4Cl48]
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
  Sb  2.0500  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [10.5918]
_cell_length_b [10.5918]
_cell_length_c [21.0752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [Cs4TlSbCl12]
_chemical_formula_sum '[Cs16 Tl4 Sb4 Cl48]'
_cell_volume [2364.3688]
_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  16  0.2235  0.2500  0.1250  1
  Tl  Tl1  4  0.0000  0.0000  0.0000  1
  Sb  Sb2  4  0.0000  0.0000  0.5000  1
  Cl  Cl3  16  0.0000  0.2281  0.5011  1
  Cl  Cl4  16  0.0000  0.2485  0.9961  1
  Cl  Cl5  8  0.0000  0.0000  0.1249  1
  Cl  Cl6  8  0.0000  0.0000  0.3856  1
]