data_[Tb24C3Se9S12]
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
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.9738]
_cell_length_b [7.9738]
_cell_length_c [19.2801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb8CSe3S4]
_chemical_formula_sum '[Tb24 C3 Se9 S12]'
_cell_volume [1061.6226]
_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  0.0354  0.5177  0.7458  1.0
  Tb  Tb1  6  0.0000  0.0000  0.2434  1.0
  Se  Se2  9  0.0000  0.5000  0.0000  1.0
  C  C3  3  0.0000  0.0000  0.0000  1.0
  S  S4  9  0.0000  0.5000  0.5000  1.0
  S  S5  3  -0.0000  -0.0000  0.5000  1.0
]