data_[Li2Tl1Au1Br6]
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
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.0578]
_cell_length_b [7.1583]
_cell_length_c [7.2716]
_cell_angle_alpha [69.7400]
_cell_angle_beta [65.4438]
_cell_angle_gamma [77.7601]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2TlAuBr6]
_chemical_formula_sum '[Li2 Tl1 Au1 Br6]'
_cell_volume [312.4754]
_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  0.6537  0.3799  0.4957  1.0
  Li  Li1  1  0.9408  0.9890  0.0698  1.0
  Tl  Tl2  1  0.2977  0.0030  0.3506  1.0
  Au  Au3  1  0.8358  0.5214  0.8224  1.0
  Br  Br4  1  0.0422  0.7823  0.7698  1.0
  Br  Br5  1  0.2957  0.8016  0.1057  1.0
  Br  Br6  1  0.3107  0.2633  0.5376  1.0
  Br  Br7  1  0.6455  0.2432  0.8864  1.0
  Br  Br8  1  0.6605  0.7714  0.4010  1.0
  Br  Br9  1  0.9790  0.2600  0.2226  1.0
]