data_[Li8Tb4Al4S16]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.2744]
_cell_length_b [7.7105]
_cell_length_c [10.5562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Li2TbAlS4]
_chemical_formula_sum '[Li8 Tb4 Al4 S16]'
_cell_volume [592.0887]
_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  0.0000  0.5000  1.0
  Li  Li1  4  0.2500  0.2500  0.2500  1.0
  Tb  Tb2  4  0.0000  0.0000  0.0000  1.0
  Al  Al3  4  0.2500  0.2500  0.7500  1.0
  S  S4  8  0.0000  0.0316  0.7433  1.0
  S  S5  8  0.2402  0.2500  0.5079  1.0
]