data_CdIrAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   6.47
_cell_angle_alpha   153.91
_cell_angle_beta   153.91
_cell_angle_gamma   37.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdIrAu
_chemical_formula_sum   'Cd1 Ir1 Au1'
_cell_volume   52.31
_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
  Cd  Cd1  1  0.0  0.0  0.02  1.0
  Ir  Ir2  1  0.0  0.0  0.18  1.0
  Au  Au0  1  0.0  0.0  0.07  1.0

data_CdIrAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   6.47
_cell_angle_alpha   90.0
_cell_angle_beta   108.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdIrAu
_chemical_formula_sum   'Cd2 Ir2 Au2'
_cell_volume   104.63
_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
  Cd  Cd0  2  0.02  0.0  0.02  1.0
  Ir  Ir1  2  0.18  0.0  0.18  1.0
  Au  Au2  2  0.07  0.0  0.07  1.0

Cd Ir Au
Cd Ir Au 0 2 o o o 1 2 o o o 