data_[K12In4Au4]
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 [12.7718]
_cell_length_b [10.4348]
_cell_length_c [8.6656]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.1506]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3InAu]
_chemical_formula_sum '[K12 In4 Au4]'
_cell_volume [869.5964]
_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  0.2144  0.1917  0.2574  1.0
  K  K1  4  0.0560  0.5000  0.8401  1.0
  In  In2  4  0.0645  0.0000  0.7475  1.0
  Au  Au3  4  0.2139  0.0000  0.6089  1.0
]