data_[Tb12Si4S24]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.6986]
_cell_length_b [13.2162]
_cell_length_c [6.4595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb3SiS6]
_chemical_formula_sum '[Tb12 Si4 S24]'
_cell_volume [913.3336]
_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  0.1813  0.0949  0.9837  1.0
  Tb  Tb1  4  0.0000  0.4064  0.8891  1.0
  Si  Si2  4  0.0000  0.2016  0.5304  1.0
  S  S3  8  0.1605  0.2643  0.6892  1.0
  S  S4  8  0.1618  0.4658  0.1871  1.0
  S  S5  4  0.0000  0.0459  0.6482  1.0
  S  S6  4  0.0000  0.2117  0.1975  1.0
]