data_YAlAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   127.14
_cell_angle_beta   127.14
_cell_angle_gamma   78.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAlAu2
_chemical_formula_sum   'Y1 Al1 Au2'
_cell_volume   79.88
_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  Y3  1  0.0  0.25  0.97  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.25  0.0  0.97  1.0
  Au  Au2  1  0.0  0.0  0.93  1.0

data_YAlAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   5.06
_cell_angle_alpha   116.43
_cell_angle_beta   116.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAlAu2
_chemical_formula_sum   'Y1 Al1 Au2'
_cell_volume   79.88
_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  Y0  1  0.71  0.97  0.71  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.93  0.93  0.93  1.0
  Au  Au3  1  0.97  0.71  0.71  1.0

Y Al Au Au