data_[Tl10Fe4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Fe  1.8300  1.4000  0.8525
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6157]
_cell_length_b [8.5643]
_cell_length_c [10.3135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9141]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl5(FeI6)2]
_chemical_formula_sum '[Tl10 Fe4 I24]'
_cell_volume [1564.5650]
_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  0.1861  0.5000  0.8401  1
  Tl  Tl1  4  0.2082  0.5000  0.3677  1
  Tl  Tl2  2  0.0000  0.0000  0.5000  1
  Fe  Fe3  4  0.0000  0.2633  0.0000  1
  I  I4  8  0.1267  0.2444  0.5622  1
  I  I5  8  0.1535  0.2530  0.0857  1
  I  I6  4  0.0012  0.0000  0.8177  1
  I  I7  4  0.0031  0.5000  0.1928  1
]