data_SiPAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02
_cell_length_b   3.59
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   112.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPAu2
_chemical_formula_sum   'Si1 P1 Au2'
_cell_volume   68.34
_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
  Si  Si3  1  0.46  0.0  0.47  1.0
  P  P2  1  0.08  0.79  0.07  1.0
  Au  Au0  1  0.77  0.79  0.7  1.0
  Au  Au1  1  0.71  0.0  0.62  1.0

data_SiPAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   4.02
_cell_length_c   5.15
_cell_angle_alpha   112.94
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPAu2
_chemical_formula_sum   'Si1 P1 Au2'
_cell_volume   68.34
_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
  Si  Si0  1  0.0  0.54  0.53  1.0
  P  P1  1  0.21  0.92  0.93  1.0
  Au  Au2  1  0.0  0.29  0.38  1.0
  Au  Au3  1  0.21  0.23  0.3  1.0

Si P Au Au