data_[Cs4Tb4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tb  1.1000  1.7500  0.9815
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [6.1380]
_cell_length_b [11.0077]
_cell_length_c [24.7262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [CsTbI4]
_chemical_formula_sum '[Cs4 Tb4 I16]'
_cell_volume [1670.6270]
_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
[
  Cs  Cs0  4  0.0000  0.0000  0.2547  1.0
  Tb  Tb1  4  0.0000  0.5000  0.0900  1.0
  I  I2  8  0.0000  0.3053  0.1756  1.0
  I  I3  4  0.0000  0.0000  0.4135  1.0
  I  I4  4  0.0000  0.3107  0.0000  1.0
]