data_[Ba2Li2Tb2S6]
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 [P2_1/m]
_cell_length_a [8.5960]
_cell_length_b [4.1016]
_cell_length_c [8.9225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0170]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaLiTbS3]
_chemical_formula_sum '[Ba2 Li2 Tb2 S6]'
_cell_volume [303.8415]
_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  2  0.1934  0.2500  0.2416  1.0
  Li  Li1  2  0.0858  0.2500  0.5915  1.0
  Tb  Tb2  2  0.3296  0.7500  0.8388  1.0
  S  S3  2  0.1192  0.2500  0.8663  1.0
  S  S4  2  0.2029  0.7500  0.5241  1.0
  S  S5  2  0.4496  0.7500  0.1616  1.0
]