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 [P2/m]
_cell_length_a [3.9930]
_cell_length_b [3.5751]
_cell_length_c [6.2750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6772]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LiTlH2Br]
_chemical_formula_sum '[Li1 Tl1 H2 Br1]'
_cell_volume [86.2445]
_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  0.0000  0.5000  0.5000  1
  Tl  Tl1  1  0.0000  0.0000  0.0000  1
  H  H2  2  0.1610  0.5000  0.8572  1
  Br  Br3  1  0.5000  0.0000  0.5000  1
]