data_[Li4Tl8In4Br16]
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 [Imma]
_cell_length_a [9.1929]
_cell_length_b [9.2013]
_cell_length_c [12.9049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [LiTl2InBr4]
_chemical_formula_sum '[Li4 Tl8 In4 Br16]'
_cell_volume [1091.5733]
_cell_formula_units_Z [4]
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  0.0000  0.0000  0.5000  1.0
  Tl  Tl1  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.2500  0.2500  0.2500  1.0
  In  In3  4  0.2500  0.2500  0.7500  1.0
  Br  Br4  8  0.0000  0.0020  0.7155  1.0
  Br  Br5  8  0.2282  0.2500  0.5013  1.0
]