data_[Tb4Tl10I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tl  1.6200  1.9000  1.3325
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0928]
_cell_length_b [8.8985]
_cell_length_c [11.1384]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9032]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Tl5I12]
_chemical_formula_sum '[Tb4 Tl10 I24]'
_cell_volume [1779.3533]
_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
[
  Tb  Tb0  4  0.0000  0.2531  0.0000  1
  Tl  Tl1  4  0.1830  0.5000  0.8223  1
  Tl  Tl2  4  0.2205  0.5000  0.3697  1
  Tl  Tl3  2  0.0000  0.0000  0.5000  1
  I  I4  8  0.1301  0.2510  0.5585  1
  I  I5  8  0.1665  0.2615  0.0870  1
  I  I6  4  0.0042  0.0000  0.1902  1
  I  I7  4  0.0080  0.5000  0.1995  1
]