data_CoIrAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.72
_cell_length_b   4.55
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   99.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoIrAu2
_chemical_formula_sum   'Co1 Ir1 Au2'
_cell_volume   63.15
_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
  Co  Co2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.92  0.0  0.55  1.0
  Au  Au0  1  0.89  0.28  0.85  1.0
  Au  Au1  1  0.96  0.28  0.24  1.0

data_CoIrAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.55
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   99.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoIrAu2
_chemical_formula_sum   'Co1 Ir1 Au2'
_cell_volume   63.15
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.92  0.0  0.55  1.0
  Au  Au2  1  0.89  0.28  0.85  1.0
  Au  Au3  1  0.96  0.28  0.24  1.0

Co Ir Au Au