data_[Tb18Sb3S36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.8851]
_cell_length_b [11.8851]
_cell_length_c [11.2913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tb6SbS12]
_chemical_formula_sum '[Tb18 Sb3 S36]'
_cell_volume [1381.2709]
_cell_formula_units_Z [3]
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  18  0.0491  0.2713  0.6401  1.0
  Sb  Sb1  3  0.0000  0.0000  0.0000  1.0
  S  S2  18  0.0347  0.2180  0.3976  1.0
  S  S3  18  0.0637  0.2077  0.8847  1.0
]