data_[Li1Tl1H2Br1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [P1]
_cell_length_a [3.5594]
_cell_length_b [3.5598]
_cell_length_c [8.9779]
_cell_angle_alpha [98.5549]
_cell_angle_beta [100.6221]
_cell_angle_gamma [90.0451]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiTlH2Br]
_chemical_formula_sum '[Li1 Tl1 H2 Br1]'
_cell_volume [110.5171]
_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
[
  Li  Li0  1  0.9730  0.3260  0.5477  1
  Tl  Tl1  1  0.9767  0.5562  0.0221  1
  H  H2  1  0.0896  0.6276  0.2138  1
  H  H3  1  0.8670  0.4847  0.8299  1
  Br  Br4  1  0.4651  0.8205  0.5322  1
]