data_KPt2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   4.48
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   95.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPt2Au
_chemical_formula_sum   'K1 Pt2 Au1'
_cell_volume   90.84
_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  0.13  0.0  0.49  1.0
  Pt  Pt2  1  0.08  0.24  0.83  1.0
  Pt  Pt3  1  0.47  0.0  0.29  1.0
  Au  Au0  1  0.47  0.24  0.34  1.0

data_KPt2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.48
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   95.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPt2Au
_chemical_formula_sum   'K1 Pt2 Au1'
_cell_volume   90.84
_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  0.13  0.0  0.49  1.0
  Pt  Pt1  1  0.08  0.24  0.83  1.0
  Pt  Pt2  1  0.47  0.0  0.29  1.0
  Au  Au3  1  0.47  0.24  0.34  1.0

K Pt Pt Au
K Pt Pt Au 0 3 o o o 0 2 o o o 0 1 o o o 1 1 + o o 2 3 o o o 