data_CuIrAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21
_cell_length_b   6.21
_cell_length_c   6.21
_cell_angle_alpha   154.38
_cell_angle_beta   154.38
_cell_angle_gamma   36.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuIrAu
_chemical_formula_sum   'Cu1 Ir1 Au1'
_cell_volume   44.71
_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
  Cu  Cu1  1  0.0  0.0  0.87  1.0
  Ir  Ir2  1  0.0  0.0  0.99  1.0
  Au  Au0  1  0.0  0.0  0.72  1.0

data_CuIrAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   6.21
_cell_angle_alpha   90.0
_cell_angle_beta   108.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuIrAu
_chemical_formula_sum   'Cu2 Ir2 Au2'
_cell_volume   89.42
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Cu  Cu0  2  0.37  0.5  0.87  1.0
  Ir  Ir1  2  0.49  0.5  0.99  1.0
  Au  Au2  2  0.22  0.5  0.72  1.0

Cu Ir Au