data_[Li8Tb4Br18]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-3c1]
_cell_length_a [7.0497]
_cell_length_b [7.0497]
_cell_length_c [19.0515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [165]
_chemical_formula_structural [Li4Tb2Br9]
_chemical_formula_sum '[Li8 Tb4 Br18]'
_cell_volume [819.9843]
_cell_formula_units_Z [2]
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  4  0.3333  0.6667  0.1644  1
  Li  Li1  4  0.3333  0.6667  0.9837  1
  Tb  Tb2  4  0.0000  0.0000  0.1596  1
  Br  Br3  12  0.0196  0.3569  0.0831  1
  Br  Br4  6  0.0000  0.3315  0.7500  1
]