data_[Tb8Pb4I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.3248]
_cell_length_b [4.1451]
_cell_length_c [14.2516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.9230]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2PbI3]
_chemical_formula_sum '[Tb8 Pb4 I12]'
_cell_volume [920.8021]
_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
[
  Tb  Tb0  4  0.1043  0.5000  0.4228  1
  Tb  Tb1  4  0.1250  0.0000  0.8340  1
  Pb  Pb2  4  0.0767  0.5000  0.6329  1
  I  I3  4  0.0465  0.0000  0.2156  1
  I  I4  4  0.1795  0.5000  0.0393  1
  I  I5  4  0.2399  0.0000  0.6089  1
]