data_[Cs6Ce9Tl3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ce  1.1200  1.8500  1.0800
  Tl  1.6200  1.9000  1.3325
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.3024]
_cell_length_b [8.3024]
_cell_length_c [25.7091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Cs2Ce3TlS8]
_chemical_formula_sum '[Cs6 Ce9 Tl3 S24]'
_cell_volume [1534.6899]
_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
[
  Cs  Cs0  3  0.0000  0.0000  0.5117  1.0
  Cs  Cs1  3  0.0000  0.0000  0.8627  1.0
  Ce  Ce2  9  0.0013  0.5007  0.0083  1.0
  Tl  Tl3  3  0.0000  0.0000  0.0255  1.0
  S  S4  9  0.0171  0.5085  0.2878  1.0
  S  S5  9  0.1825  0.8175  0.0677  1.0
  S  S6  3  0.0000  0.0000  0.2875  1.0
  S  S7  3  0.0000  0.0000  0.7287  1.0
]