data_K2PdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78
_cell_length_b   3.78
_cell_length_c   9.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2PdAu
_chemical_formula_sum   'K2 Pd1 Au1'
_cell_volume   139.69
_cell_formula_units_Z   1
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  K1  1  0.0  0.0  0.83  1.0
  K  K2  1  0.89  0.89  0.34  1.0
  Pd  Pd3  1  0.0  0.0  0.8  1.0
  Au  Au0  1  0.89  0.89  0.48  1.0

data_K2PdAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   9.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2PdAu
_chemical_formula_sum   'K4 Pd2 Au2'
_cell_volume   279.38
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.83  1.0
  K  K1  2  0.39  0.5  0.34  1.0
  Pd  Pd2  2  0.0  0.0  0.8  1.0
  Au  Au3  2  0.39  0.5  0.48  1.0

K K Pd Au
K K Pd Au 0 2 o o o 1 3 o o o 