data_[Ce9Tl12In3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3159]
_cell_length_b [8.3159]
_cell_length_c [22.3496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ce3Tl4InS8]
_chemical_formula_sum '[Ce9 Tl12 In3 S24]'
_cell_volume [1338.4855]
_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
[
  Ce  Ce0  9  0.0000  0.5000  0.5000  1.0
  Tl  Tl1  9  0.0000  0.5000  0.0000  1.0
  Tl  Tl2  3  0.0000  0.0000  0.0000  1.0
  In  In3  3  -0.0000  -0.0000  0.5000  1.0
  S  S4  18  0.0001  0.5000  0.7670  1.0
  S  S5  6  0.0000  0.0000  0.2338  1.0
]