data_[La10Tb2S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tb  1.1000  1.7500  0.9815
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [8.6774]
_cell_length_b [8.6774]
_cell_length_c [8.6906]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [La5TbS8]
_chemical_formula_sum '[La10 Tb2 S16]'
_cell_volume [654.3768]
_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
[
  La  La0  8  0.1288  0.2513  0.1246  1.0
  La  La1  2  0.0000  0.0000  0.5000  1.0
  Tb  Tb2  2  0.0000  0.5000  0.7500  1.0
  S  S3  8  0.0714  0.1821  0.7982  1.0
  S  S4  8  0.0760  0.3279  0.4532  1.0
]