data_[K4Ge4Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0143]
_cell_length_b [6.3479]
_cell_length_c [6.9613]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.8748]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KGeAu4]
_chemical_formula_sum '[K4 Ge4 Au16]'
_cell_volume [573.0215]
_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  0.2175  0.0000  0.8429  1.0
  Ge  Ge1  4  0.0452  0.5000  0.7252  1.0
  Au  Au2  8  0.0908  0.2194  0.3824  1.0
  Au  Au3  4  0.0000  0.2267  0.0000  1.0
  Au  Au4  4  0.2270  0.5000  0.6263  1.0
]