data_[Tl4As8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  As  2.1800  1.1500  0.6600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.1658]
_cell_length_b [13.4154]
_cell_length_c [11.6034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5052]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl(AsI3)2]
_chemical_formula_sum '[Tl4 As8 I24]'
_cell_volume [1945.4443]
_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
[
  Tl  Tl0  4  0.0000  0.0781  0.2500  1.0
  As  As1  8  0.1281  0.4534  0.2148  1.0
  I  I2  8  0.1186  0.4786  0.4612  1.0
  I  I3  8  0.1292  0.2613  0.1727  1.0
  I  I4  8  0.1518  0.0208  0.6176  1.0
]