data_[Li2Tb2Pb2S6]
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
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3444]
_cell_length_b [3.9994]
_cell_length_c [8.5974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0488]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiTbPbS3]
_chemical_formula_sum '[Li2 Tb2 Pb2 S6]'
_cell_volume [280.5971]
_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
[
  Li  Li0  2  0.0835  0.2500  0.5853  1.0
  Tb  Tb1  2  0.3330  0.7500  0.8306  1.0
  Pb  Pb2  2  0.1853  0.2500  0.2313  1.0
  S  S3  2  0.1165  0.2500  0.8691  1.0
  S  S4  2  0.2092  0.7500  0.5114  1.0
  S  S5  2  0.4344  0.7500  0.1631  1.0
]