data_[Li4Tl6In2Br12]
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
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.5638]
_cell_length_b [4.5450]
_cell_length_c [9.4091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8108]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Tl3InBr6]
_chemical_formula_sum '[Li4 Tl6 In2 Br12]'
_cell_volume [800.8893]
_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  4  0.1748  0.0000  0.3978  1.0
  Tl  Tl1  4  0.1621  0.0000  0.8330  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  In  In3  2  0.0000  0.5000  0.0000  1.0
  Br  Br4  4  0.0345  0.0000  0.2719  1.0
  Br  Br5  4  0.1720  0.5000  0.0845  1.0
  Br  Br6  4  0.1841  0.5000  0.5611  1.0
]