data_KAgAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   2.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAgAu
_chemical_formula_sum   'K1 Ag1 Au1'
_cell_volume   71.79
_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  K2  1  0.0  0.0  0.03  1.0
  Ag  Ag0  1  1.0  0.04  0.47  1.0
  Au  Au1  1  0.63  0.52  0.48  1.0

data_KAgAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAgAu
_chemical_formula_sum   'K1 Ag1 Au1'
_cell_volume   71.79
_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  K0  1  0.03  0.0  0.0  1.0
  Ag  Ag1  1  0.47  1.0  0.04  1.0
  Au  Au2  1  0.48  0.63  0.52  1.0

K Ag Au
K Ag Au 0 1 - o o 0 2 - - o 0 2 - - - 1 2 + o o 1 2 o - o 2 2 o o + 