data_[Li2Tl4Br2]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.2829]
_cell_length_b [3.5670]
_cell_length_c [5.7493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.3364]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiTl2Br]
_chemical_formula_sum '[Li2 Tl4 Br2]'
_cell_volume [223.7661]
_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
[
  Li  Li0  2  0.2905  0.5000  0.2785  1
  Tl  Tl1  2  0.0213  0.0000  0.0319  1
  Tl  Tl2  2  0.2380  0.0000  0.7291  1
  Br  Br3  2  0.4503  0.0000  0.4605  1
]