data_[Tl6Ag9Sn3I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [9.0593]
_cell_length_b [9.0593]
_cell_length_c [24.8887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tl2Ag3SnI8]
_chemical_formula_sum '[Tl6 Ag9 Sn3 I24]'
_cell_volume [1768.9595]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.5001  1.0
  Tl  Tl1  3  0.0000  0.0000  0.8617  1.0
  Ag  Ag2  9  0.1744  0.3488  0.3282  1.0
  Sn  Sn3  3  0.0000  0.0000  0.1355  1.0
  I  I4  9  0.0089  0.5045  0.2618  1.0
  I  I5  9  0.0124  0.5062  0.7423  1.0
  I  I6  3  0.0000  0.0000  0.2879  1.0
  I  I7  3  0.0000  0.0000  0.7251  1.0
]