data_[Ce2Tl4Ag2Br12]
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
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.7198]
_cell_length_b [8.1775]
_cell_length_c [13.3758]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.9583]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CeTl2AgBr6]
_chemical_formula_sum '[Ce2 Tl4 Ag2 Br12]'
_cell_volume [700.3802]
_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
[
  Ce  Ce0  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl1  4  0.2852  0.0805  0.2562  1.0
  Ag  Ag2  2  0.5000  0.0000  0.0000  1.0
  Br  Br3  4  0.1437  0.0258  0.7535  1.0
  Br  Br4  4  0.2447  0.6999  0.5536  1.0
  Br  Br5  4  0.3595  0.1953  0.5516  1.0
]