data_[Tl4Sb2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.9731]
_cell_length_b [8.6832]
_cell_length_c [13.5680]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5349]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tl2SbI6]
_chemical_formula_sum '[Tl4 Sb2 I12]'
_cell_volume [773.8101]
_cell_formula_units_Z [2]
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  0.2184  0.1034  0.7468  1.0
  Sb  Sb1  2  0.5000  0.0000  0.5000  1.0
  I  I2  4  0.1463  0.1832  0.4543  1.0
  I  I3  4  0.2795  0.7053  0.4644  1.0
  I  I4  4  0.3346  0.0050  0.2419  1.0
]