data_YIrAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   3.46
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YIrAu
_chemical_formula_sum   'Y1 Ir1 Au1'
_cell_volume   64.37
_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
  Y  Y2  1  0.0  0.0  0.04  1.0
  Ir  Ir1  1  0.0  1.0  0.1  1.0
  Au  Au0  1  0.73  1.0  0.07  1.0

data_YIrAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.46
_cell_length_b   5.99
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YIrAu
_chemical_formula_sum   'Y2 Ir2 Au2'
_cell_volume   128.74
_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
  Y  Y0  2  0.0  0.0  0.04  1.0
  Ir  Ir1  2  0.0  0.0  0.1  1.0
  Au  Au2  2  0.23  0.5  0.07  1.0

Y Ir Au
Y Ir Au 0 1 o - o 0 2 - - o 1 2 - o o 