data_[K12In8Au12]
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 [Cmcm]
_cell_length_a [4.9010]
_cell_length_b [12.2794]
_cell_length_c [15.9245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [K3In2Au3]
_chemical_formula_sum '[K12 In8 Au12]'
_cell_volume [958.3572]
_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  8  0.0000  0.0791  0.6189  1
  K  K1  4  0.0000  0.3850  0.7500  1
  In  In2  8  0.0000  0.2125  0.0834  1
  Au  Au3  8  0.0000  0.3911  0.5308  1
  Au  Au4  4  0.0000  0.3003  0.2500  1
]