data_[Li4Tb8Al4Se20]
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
  Al  1.6100  1.2500  0.6750
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9493]
_cell_length_b [17.5907]
_cell_length_c [11.7128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiTb2AlSe5]
_chemical_formula_sum '[Li4 Tb8 Al4 Se20]'
_cell_volume [813.6996]
_cell_formula_units_Z [4]
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  0.0000  0.2133  0.0181  1.0
  Tb  Tb1  4  0.0000  0.1214  0.6805  1.0
  Tb  Tb2  4  0.0000  0.1309  0.3035  1.0
  Al  Al3  4  0.0000  0.4270  0.4574  1.0
  Se  Se4  4  0.0000  0.0436  0.0683  1.0
  Se  Se5  4  0.0000  0.2931  0.6677  1.0
  Se  Se6  4  0.0000  0.3122  0.3472  1.0
  Se  Se7  4  0.0000  0.3580  0.9987  1.0
  Se  Se8  4  0.0000  0.4984  0.2826  1.0
]