data_[Ba4Li4Tb2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Tb  1.1000  1.7500  0.9815
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9604]
_cell_length_b [4.0780]
_cell_length_c [7.3561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2602]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Li2TbS4]
_chemical_formula_sum '[Ba4 Li4 Tb2 S8]'
_cell_volume [421.0219]
_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
[
  Ba  Ba0  4  0.1331  0.0000  0.5572  1.0
  Li  Li1  4  0.1801  0.5000  0.9938  1.0
  Tb  Tb2  2  0.0000  0.0000  0.0000  1.0
  S  S3  4  0.0195  0.5000  0.7559  1.0
  S  S4  4  0.2023  0.0000  0.1861  1.0
]