data_[K3Tl7Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0814]
_cell_length_b [5.2338]
_cell_length_c [15.4090]
_cell_angle_alpha [92.7874]
_cell_angle_beta [90.6137]
_cell_angle_gamma [90.0244]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K3Tl7Au2]
_chemical_formula_sum '[K3 Tl7 Au2]'
_cell_volume [409.2925]
_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
[
  K  K0  2  0.4856  0.7611  0.5913  1
  K  K1  1  0.5000  0.5000  0.0000  1
  Tl  Tl2  2  0.0082  0.1921  0.2278  1
  Tl  Tl3  2  0.0112  0.7397  0.3785  1
  Tl  Tl4  2  0.4921  0.2946  0.7635  1
  Tl  Tl5  1  0.0000  0.0000  0.0000  1
  Au  Au6  2  0.0049  0.6601  0.1376  1
]