data_CuIr2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   4.66
_cell_length_c   4.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuIr2Au
_chemical_formula_sum   'Cu1 Ir2 Au1'
_cell_volume   60.56
_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  0.0  1.0
  Ir  Ir2  1  0.0  0.33  0.38  1.0
  Ir  Ir3  1  0.37  0.0  0.38  1.0
  Au  Au0  1  0.37  0.33  0.0  1.0

data_CuIr2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.66
_cell_length_c   4.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuIr2Au
_chemical_formula_sum   'Cu1 Ir2 Au1'
_cell_volume   60.56
_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  Cu0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  -0.0  0.33  0.38  1.0
  Ir  Ir2  1  0.37  0.0  0.38  1.0
  Au  Au3  1  0.37  0.33  0.0  1.0

Cu Ir Ir Au
Cu Ir Ir Au 0 3 - o o 0 3 o o o 0 2 o o o 1 2 - o o 1 2 o o o 1 3 o o o 