data_[Cs3Rb6Tb3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Tb  1.1000  1.7500  0.9815
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [9.0856]
_cell_length_b [9.0856]
_cell_length_c [23.6215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CsRb2TbI6]
_chemical_formula_sum '[Cs3 Rb6 Tb3 I18]'
_cell_volume [1688.6523]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.1847  1.0
  Rb  Rb1  3  0.0000  0.0000  0.4710  1.0
  Rb  Rb2  3  0.0000  0.0000  0.9833  1.0
  Tb  Tb3  3  0.0000  0.0000  0.6748  1.0
  I  I4  9  0.0335  0.2977  0.7462  1.0
  I  I5  9  0.0703  0.6762  0.2619  1.0
]