data_[Cs1Tb1Sn2I8]
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
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.4894]
_cell_length_b [7.9087]
_cell_length_c [10.3676]
_cell_angle_alpha [83.1374]
_cell_angle_beta [83.4538]
_cell_angle_gamma [85.9380]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsTb(SnI4)2]
_chemical_formula_sum '[Cs1 Tb1 Sn2 I8]'
_cell_volume [604.6974]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Tb  Tb1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.4691  0.4830  0.7463  1.0
  I  I3  2  0.2225  0.3202  0.9781  1.0
  I  I4  2  0.2429  0.8362  0.2031  1.0
  I  I5  2  0.2618  0.3915  0.5429  1.0
  I  I6  2  0.2621  0.8523  0.7874  1.0
]