data_[Na3Li6Tb3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Tb  1.1000  1.7500  0.9815
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.7064]
_cell_length_b [6.7064]
_cell_length_c [18.3877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NaLi2TbCl6]
_chemical_formula_sum '[Na3 Li6 Tb3 Cl18]'
_cell_volume [716.1967]
_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
[
  Na  Na0  3  0.0000  0.0000  0.8122  1.0
  Li  Li1  3  0.0000  0.0000  0.0141  1.0
  Li  Li2  3  0.0000  0.0000  0.5183  1.0
  Tb  Tb3  3  0.0000  0.0000  0.3203  1.0
  Cl  Cl4  9  0.0189  0.3420  0.5844  1.0
  Cl  Cl5  9  0.0480  0.7014  0.0814  1.0
]