data_[La2Tb2Y2S6]
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
  Y  1.2200  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9003]
_cell_length_b [3.9294]
_cell_length_c [10.4398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6595]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaTbYS3]
_chemical_formula_sum '[La2 Tb2 Y2 S6]'
_cell_volume [276.1823]
_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
[
  Tb  Tb0  2  0.2332  0.7500  0.9448  1.0
  La  La1  2  0.3458  0.2500  0.3065  1.0
  Y  Y2  2  0.1266  0.2500  0.6331  1.0
  S  S3  2  0.0500  0.7500  0.1553  1.0
  S  S4  2  0.2698  0.7500  0.4992  1.0
  S  S5  2  0.4494  0.2500  0.8396  1.0
]