data_[K12In4Au16]
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 [Pnma]
_cell_length_a [14.9363]
_cell_length_b [9.5517]
_cell_length_c [6.6094]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [K3InAu4]
_chemical_formula_sum '[K12 In4 Au16]'
_cell_volume [942.9510]
_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  0.1768  0.5523  0.0501  1
  K  K1  4  0.0439  0.2500  0.2082  1
  In  In2  4  0.1780  0.7500  0.5162  1
  Au  Au3  8  0.0908  0.0045  0.5886  1
  Au  Au4  4  0.0144  0.7500  0.3171  1
  Au  Au5  4  0.1684  0.2500  0.7798  1
]