data_IrPtAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   5.64
_cell_angle_alpha   151.54
_cell_angle_beta   128.5
_cell_angle_gamma   59.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrPtAu2
_chemical_formula_sum   'Ir1 Pt1 Au2'
_cell_volume   66.55
_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
  Ir  Ir2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.89  1.0
  Au  Au0  1  0.39  0.0  0.42  1.0
  Au  Au1  1  0.0  0.45  0.47  1.0

data_IrPtAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.9
_cell_length_c   5.64
_cell_angle_alpha   115.75
_cell_angle_beta   104.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrPtAu2
_chemical_formula_sum   'Ir1 Pt1 Au2'
_cell_volume   66.55
_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
  Ir  Ir0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.11  0.11  0.11  1.0
  Au  Au2  1  0.53  0.98  0.98  1.0
  Au  Au3  1  0.97  0.58  0.97  1.0

Ir Pt Au Au