data_SiIrAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   149.06
_cell_angle_beta   145.09
_cell_angle_gamma   47.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiIrAu
_chemical_formula_sum   'Si1 Ir1 Au1'
_cell_volume   46.34
_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  Si2  1  0.0  0.0  0.07  1.0
  Ir  Ir1  1  0.0  0.0  0.93  1.0
  Au  Au0  1  0.0  0.0  0.81  1.0

data_SiIrAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   3.24
_cell_length_c   5.41
_cell_angle_alpha   107.46
_cell_angle_beta   105.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiIrAu
_chemical_formula_sum   'Si1 Ir1 Au1'
_cell_volume   46.34
_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  0.07  0.07  1.0
  Ir  Ir1  1  0.0  0.93  0.93  1.0
  Au  Au2  1  0.0  0.81  0.81  1.0

Si Ir Au