data_[Tb24Al4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Al  1.6100  1.2500  0.6750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9173]
_cell_length_b [13.1481]
_cell_length_c [20.0946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tb6AlS4]
_chemical_formula_sum '[Tb24 Al4 S16]'
_cell_volume [1034.9698]
_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  0.0439  0.1606  1
  Tb  Tb1  8  0.0000  0.2279  0.5850  1
  Tb  Tb2  4  0.0000  0.3401  0.2500  1
  Tb  Tb3  4  0.0000  0.5000  0.0000  1
  Al  Al4  4  0.0000  0.3346  0.7500  1
  S  S5  8  0.0000  0.1380  0.0395  1
  S  S6  8  0.0000  0.4084  0.1225  1
]