data_[Tb12In4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.7722]
_cell_length_b [13.4687]
_cell_length_c [6.6377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb3InS6]
_chemical_formula_sum '[Tb12 In4 S24]'
_cell_volume [963.0454]
_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  0.1865  0.0986  0.9827  1.0
  Tb  Tb1  4  0.0000  0.4041  0.8942  1.0
  In  In2  4  0.0000  0.2012  0.5085  1.0
  S  S3  8  0.1624  0.4696  0.1868  1.0
  S  S4  8  0.1725  0.2715  0.7129  1.0
  S  S5  4  0.0000  0.0328  0.6770  1.0
  S  S6  4  0.0000  0.2200  0.1411  1.0
]