data_[K6Sn8Au2]
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 [Pmmn]
_cell_length_a [6.9450]
_cell_length_b [12.8832]
_cell_length_c [6.6668]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [K3Sn4Au]
_chemical_formula_sum '[K6 Sn8 Au2]'
_cell_volume [596.4959]
_cell_formula_units_Z [2]
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  4  0.0000  0.2469  0.1720  1.0
  K  K1  2  0.0000  0.0000  0.5582  1.0
  Sn  Sn2  4  0.0000  0.3781  0.6672  1.0
  Sn  Sn3  4  0.2317  0.5000  0.9599  1.0
  Au  Au4  2  0.0000  0.5000  0.3127  1.0
]