data_[Tb24C9S9N3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.4020]
_cell_length_b [7.4020]
_cell_length_c [18.9981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb8C3S3N]
_chemical_formula_sum '[Tb24 C9 S9 N3]'
_cell_volume [901.4400]
_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  0.0015  0.5007  0.2625  1.0
  Tb  Tb1  6  0.0000  0.0000  0.2612  1.0
  C  C2  9  0.0000  0.5000  0.0000  1.0
  S  S3  9  0.0000  0.5000  0.5000  1.0
  N  N4  3  0.0000  0.0000  0.0000  1.0
]