data_[Tl2Sb2I6]
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 [P-1]
_cell_length_a [4.4535]
_cell_length_b [9.8532]
_cell_length_c [9.9165]
_cell_angle_alpha [91.2245]
_cell_angle_beta [94.2805]
_cell_angle_gamma [100.9109]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlSbI3]
_chemical_formula_sum '[Tl2 Sb2 I6]'
_cell_volume [425.8158]
_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  2  0.1070  0.6878  0.0542  1.0
  Sb  Sb1  2  0.4701  0.1205  0.4056  1.0
  I  I2  2  0.0157  0.7111  0.4467  1.0
  I  I3  2  0.2087  0.9902  0.8025  1.0
  I  I4  2  0.4927  0.4283  0.1884  1.0
]