data_[Na4Tl4Fe8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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/c]
_cell_length_a [15.2921]
_cell_length_b [13.4473]
_cell_length_c [8.1522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4635]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaTl(FeI3)2]
_chemical_formula_sum '[Na4 Tl4 Fe8 I24]'
_cell_volume [1607.6677]
_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
[
  Na  Na0  4  0.0000  0.4018  0.7500  1
  Tl  Tl1  4  0.0000  0.1942  0.2500  1
  Fe  Fe2  8  0.2087  0.0878  0.7592  1
  I  I3  8  0.1132  0.4094  0.1484  1
  I  I4  8  0.1389  0.0449  0.0155  1
  I  I5  8  0.1451  0.2611  0.6464  1
]