data_[Tb2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.6333]
_cell_length_b [9.4208]
_cell_length_c [8.2530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0116]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [TbI4]
_chemical_formula_sum '[Tb2 I8]'
_cell_volume [511.8821]
_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  2  0.0000  0.1140  0.7500  1.0
  I  I1  4  0.2497  0.3841  0.7321  1.0
  I  I2  4  0.2521  0.0992  0.0911  1.0
]