data_[Ce1Tl1H2Br8]
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
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0726]
_cell_length_b [7.5161]
_cell_length_c [8.4652]
_cell_angle_alpha [91.2720]
_cell_angle_beta [90.2223]
_cell_angle_gamma [91.0712]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CeTl(HBr4)2]
_chemical_formula_sum '[Ce1 Tl1 H2 Br8]'
_cell_volume [449.7997]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  1  0.0000  0.0000  0.5000  1.0
  H  H2  2  0.2565  0.3203  0.2933  1.0
  Br  Br3  2  0.2090  0.8241  0.2330  1.0
  Br  Br4  2  0.2384  0.8617  0.7616  1.0
  Br  Br5  2  0.2394  0.2962  0.0419  1.0
  Br  Br6  2  0.2686  0.3358  0.4706  1.0
]