data_[Tb24Tl9P3S9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tl  1.6200  1.9000  1.3325
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.7685]
_cell_length_b [7.7685]
_cell_length_c [23.3019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb8Tl3PS3]
_chemical_formula_sum '[Tb24 Tl9 P3 S9]'
_cell_volume [1217.8414]
_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  0.0016  0.5008  0.2351  1.0
  Tb  Tb1  6  0.0000  0.0000  0.2346  1.0
  Tl  Tl2  9  0.0000  0.5000  0.0000  1.0
  P  P3  3  -0.0000  -0.0000  0.5000  1.0
  S  S4  9  0.0000  0.5000  0.5000  1.0
]