data_[Tb12Si4Pb2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Si  1.9000  1.1000  0.5400
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9227]
_cell_length_b [4.0635]
_cell_length_c [8.3061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7189]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6Si2PbS3]
_chemical_formula_sum '[Tb12 Si4 Pb2 S6]'
_cell_volume [587.6589]
_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  4  0.0002  0.0000  0.2715  1.0
  Tb  Tb1  4  0.1695  0.5000  0.5799  1.0
  Tb  Tb2  4  0.1742  0.5000  0.0921  1.0
  Si  Si3  4  0.1658  0.0000  0.3324  1.0
  Pb  Pb4  2  0.0000  0.5000  0.0000  1.0
  S  S5  4  0.1665  0.0000  0.8310  1.0
  S  S6  2  0.0000  0.5000  0.5000  1.0
]