data_[Rb2Ce2Tl4Br12]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.9643]
_cell_length_b [8.9074]
_cell_length_c [13.7501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3010]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [RbCe(TlBr3)2]
_chemical_formula_sum '[Rb2 Ce2 Tl4 Br12]'
_cell_volume [824.4995]
_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  0.5000  0.0000  0.0000  1.0
  Ce  Ce1  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  4  0.2989  0.5660  0.7803  1.0
  Br  Br3  4  0.0883  0.5863  0.2286  1.0
  Br  Br4  4  0.2574  0.2345  0.0975  1.0
  Br  Br5  4  0.3475  0.6635  0.0363  1.0
]