data_YIrAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   140.64
_cell_angle_beta   140.64
_cell_angle_gamma   56.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YIrAu
_chemical_formula_sum   'Y1 Ir1 Au1'
_cell_volume   59.72
_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  0.29  1.0
  Ir  Ir1  1  0.0  0.0  0.1  1.0
  Au  Au0  1  0.0  0.0  0.29  1.0

data_YIrAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   118.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YIrAu
_chemical_formula_sum   'Y2 Ir2 Au2'
_cell_volume   119.44
_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  0.71  1.0
  Ir  Ir1  2  0.0  0.0  0.9  1.0
  Au  Au2  2  0.0  0.0  0.71  1.0
