data_[Ce2Tl2Ga4Br12]
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
  Ga  1.8100  1.3000  0.7600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.6440]
_cell_length_b [8.7974]
_cell_length_c [13.4135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.7345]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CeTl(GaBr3)2]
_chemical_formula_sum '[Ce2 Tl2 Ga4 Br12]'
_cell_volume [758.7663]
_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  2  0.5000  0.0000  0.0000  1.0
  Ga  Ga2  4  0.3102  0.5814  0.8008  1.0
  Br  Br3  4  0.0788  0.5897  0.2313  1.0
  Br  Br4  4  0.2748  0.2363  0.1043  1.0
  Br  Br5  4  0.3674  0.6609  0.0375  1.0
]