data_[Cs2Tl6Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [9.2758]
_cell_length_b [9.2758]
_cell_length_c [5.1091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Cs2(Tl2Au)3]
_chemical_formula_sum '[Cs2 Tl6 Au3]'
_cell_volume [380.6975]
_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
[
  Cs  Cs0  2  0.3333  0.6667  0.0000  1.0
  Tl  Tl1  3  0.0000  0.2026  0.0000  1.0
  Tl  Tl2  3  0.0000  0.7034  0.5000  1.0
  Au  Au3  3  0.0000  0.3717  0.5000  1.0
]