data_[K4Sn8Au12]
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 [C2/m]
_cell_length_a [18.2755]
_cell_length_b [4.7185]
_cell_length_c [8.3544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.7225]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KSn2Au3]
_chemical_formula_sum '[K4 Sn8 Au12]'
_cell_volume [649.0386]
_cell_formula_units_Z [4]
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  0.1709  0.0000  0.1006  1.0
  Sn  Sn1  4  0.0303  0.5000  0.2018  1.0
  Sn  Sn2  4  0.1517  0.0000  0.5802  1.0
  Au  Au3  4  0.0141  0.0000  0.6980  1.0
  Au  Au4  4  0.1043  0.5000  0.6948  1.0
  Au  Au5  4  0.1955  0.5000  0.4313  1.0
]