data_SiAs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   2.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAs2Au
_chemical_formula_sum   'Si1 As2 Au1'
_cell_volume   74.02
_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  0.0  0.0  0.0  1.0
  As  As0  1  0.54  0.13  0.41  1.0
  As  As1  1  0.54  0.87  0.41  1.0
  Au  Au2  1  0.07  0.0  0.0  1.0

data_SiAs2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   108.38
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAs2Au
_chemical_formula_sum   'Si1 As2 Au1'
_cell_volume   74.02
_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  0.0  0.0  1.0
  As  As1  1  0.41  0.54  0.13  1.0
  As  As2  1  0.41  0.54  0.87  1.0
  Au  Au3  1  0.0  0.07  0.0  1.0

Si As As Au
Si As As Au 0 3 o o o 1 2 o - o 