data_[Cs1Li2Tb1I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Tb  1.1000  1.7500  0.9815
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.7459]
_cell_length_b [8.1762]
_cell_length_c [8.3349]
_cell_angle_alpha [75.6938]
_cell_angle_beta [67.3179]
_cell_angle_gamma [68.1442]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsLi2TbI6]
_chemical_formula_sum '[Cs1 Li2 Tb1 I6]'
_cell_volume [448.7164]
_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  0.1818  0.1864  0.4381  1.0
  Li  Li1  1  0.0673  0.9206  0.0395  1.0
  Li  Li2  1  0.4407  0.6347  0.5197  1.0
  Tb  Tb3  1  0.6739  0.6524  0.9828  1.0
  I  I4  1  0.0509  0.7595  0.7734  1.0
  I  I5  1  0.2750  0.6352  0.2589  1.0
  I  I6  1  0.4310  0.9920  0.8265  1.0
  I  I7  1  0.6678  0.4441  0.7306  1.0
  I  I8  1  0.6817  0.8279  0.2681  1.0
  I  I9  1  0.8683  0.2856  0.1474  1.0
]