data_[Li1Tl2Au1Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9764]
_cell_length_b [7.1946]
_cell_length_c [7.2575]
_cell_angle_alpha [113.7623]
_cell_angle_beta [113.2664]
_cell_angle_gamma [92.4338]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiTl2AuCl6]
_chemical_formula_sum '[Li1 Tl2 Au1 Cl6]'
_cell_volume [297.3408]
_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  0.0000  0.0000  1.0
  Tl  Tl1  2  0.2122  0.7517  0.4823  1.0
  Au  Au2  1  0.5000  0.5000  0.0000  1.0
  Cl  Cl3  2  0.1564  0.1285  0.3852  1.0
  Cl  Cl4  2  0.2039  0.6437  0.9175  1.0
  Cl  Cl5  2  0.3539  0.3248  0.1414  1.0
]