data_[Rb2Ce4Tl6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ce  1.1200  1.8500  1.0800
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.1217]
_cell_length_b [4.3730]
_cell_length_c [9.2382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9868]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbCe2(TlSe2)3]
_chemical_formula_sum '[Rb2 Ce4 Tl6 Se12]'
_cell_volume [792.0916]
_cell_formula_units_Z [2]
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
[
  Rb  Rb0  2  0.0000  0.5000  0.0000  1
  Ce  Ce1  4  0.1721  0.0000  0.3354  1
  Tl  Tl2  4  0.1624  0.0000  0.8286  1
  Tl  Tl3  2  0.0000  0.5000  0.5000  1
  Se  Se4  4  0.0349  0.0000  0.2819  1
  Se  Se5  4  0.1780  0.5000  0.5570  1
  Se  Se6  4  0.1809  0.5000  0.1323  1
]