data_[K1Sn6Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [8.6710]
_cell_length_b [8.6710]
_cell_length_c [4.2874]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [K(Sn3Au2)2]
_chemical_formula_sum '[K1 Sn6 Au4]'
_cell_volume [279.1695]
_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  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn1  3  0.1977  0.8023  0.5000  1.0
  Sn  Sn2  3  0.5365  0.0730  0.0000  1.0
  Au  Au3  3  0.3739  0.1870  0.5000  1.0
  Au  Au4  1  0.3333  0.6667  0.0000  1.0
]