data_[Li6Tb3In3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tb  1.1000  1.7500  0.9815
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.8377]
_cell_length_b [7.8377]
_cell_length_c [21.6030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Li2TbInI6]
_chemical_formula_sum '[Li6 Tb3 In3 I18]'
_cell_volume [1149.2809]
_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
[
  Li  Li0  3  0.0000  0.0000  0.0037  1.0
  Li  Li1  3  0.0000  0.0000  0.5093  1.0
  Tb  Tb2  3  0.0000  0.0000  0.3248  1.0
  In  In3  3  0.0000  0.0000  0.8125  1.0
  I  I4  9  0.0028  0.3405  0.2548  1.0
  I  I5  9  0.0658  0.7251  0.0821  1.0
]