data_[K2Ni4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ni  1.9100  1.3500  0.7400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.0249]
_cell_length_b [2.7421]
_cell_length_c [5.9442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5305]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KNi2Au]
_chemical_formula_sum '[K2 Ni4 Au2]'
_cell_volume [179.7070]
_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  2  0.2788  0.5000  0.2517  1
  Ni  Ni1  2  0.2469  0.0000  0.7286  1
  Ni  Ni2  2  0.4161  0.5000  0.8311  1
  Au  Au3  2  0.0582  0.5000  0.6887  1
]