data_[Tb16Te4Pb4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Te  2.1000  1.4000  1.2933
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.3039]
_cell_length_b [8.4006]
_cell_length_c [11.8632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Tb4TePbS2]
_chemical_formula_sum '[Tb16 Te4 Pb4 S8]'
_cell_volume [827.5498]
_cell_formula_units_Z [4]
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  8  0.0000  0.0214  0.2631  1.0
  Tb  Tb1  8  0.2238  0.2500  0.4907  1.0
  Te  Te2  4  0.0000  0.0000  0.0000  1.0
  Pb  Pb3  4  0.2500  0.2500  0.7500  1.0
  S  S4  4  0.0000  0.0000  0.5000  1.0
  S  S5  4  0.2500  0.2500  0.2500  1.0
]