data_[K6In16Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8446]
_cell_length_b [5.1993]
_cell_length_c [9.8118]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.0865]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3In8Au3]
_chemical_formula_sum '[K6 In16 Au6]'
_cell_volume [762.7223]
_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  0.2164  0.5000  0.7154  1
  K  K1  2  0.0000  0.0000  0.0000  1
  In  In2  4  0.0033  0.5000  0.6720  1
  In  In3  4  0.1365  0.0000  0.4319  1
  In  In4  4  0.1489  0.0000  0.8498  1
  In  In5  4  0.1583  0.5000  0.2867  1
  Au  Au6  4  0.1553  0.5000  0.9967  1
  Au  Au7  2  0.0000  0.0000  0.5000  1
]