data_PtAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   6.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PtAu
_chemical_formula_sum   'Pt2 Au2'
_cell_volume   103.52
_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
  Pt  Pt2  1  0.09  0.21  0.97  1.0
  Pt  Pt3  1  0.0  0.41  0.54  1.0
  Au  Au0  1  0.09  0.21  0.41  1.0
  Au  Au1  1  0.0  0.41  0.83  1.0

data_PtAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   6.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PtAu
_chemical_formula_sum   'Pt2 Au2'
_cell_volume   103.52
_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
  Pt  Pt0  1  0.0  0.41  0.54  1.0
  Pt  Pt1  1  0.09  0.21  0.97  1.0
  Au  Au2  1  0.0  0.41  0.83  1.0
  Au  Au3  1  0.09  0.21  0.41  1.0

Pt Pt Au Au
Pt Pt Au Au 0 3 o o o 1 2 o o o 