data_[Tb3Y12Tl3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.2213]
_cell_length_b [8.2213]
_cell_length_c [20.1879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [TbY4TlS8]
_chemical_formula_sum '[Tb3 Y12 Tl3 S24]'
_cell_volume [1181.6811]
_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  3  0.0000  0.0000  0.9958  1.0
  Y  Y1  9  0.0108  0.5054  0.5013  1.0
  Y  Y2  3  0.0000  0.0000  0.3749  1.0
  Tl  Tl3  3  0.0000  0.0000  0.6253  1.0
  S  S4  9  0.0197  0.5098  0.7527  1.0
  S  S5  9  0.1883  0.3767  0.5776  1.0
  S  S6  3  0.0000  0.0000  0.2424  1.0
  S  S7  3  0.0000  0.0000  0.7665  1.0
]