data_AgPAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   4.24
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgPAu2
_chemical_formula_sum   'Ag1 P1 Au2'
_cell_volume   71.98
_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
  Ag  Ag0  1  0.46  0.0  0.9  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.0  0.12  0.34  1.0
  Au  Au2  1  0.0  0.12  0.46  1.0

data_AgPAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.24
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgPAu2
_chemical_formula_sum   'Ag1 P1 Au2'
_cell_volume   71.98
_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
  Ag  Ag0  1  0.46  0.0  0.9  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.0  0.12  0.34  1.0
  Au  Au3  1  0.0  0.12  0.46  1.0

Ag P Au Au
Ag P Au Au 0 1 o o + 0 1 + o + 2 3 o o o 