data_YPdAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   133.2
_cell_angle_beta   133.2
_cell_angle_gamma   68.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YPdAu2
_chemical_formula_sum   'Y1 Pd1 Au2'
_cell_volume   76.9
_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  0.0  0.0  1.0
  Pd  Pd2  1  0.0  0.1  0.18  1.0
  Au  Au0  1  0.1  0.0  0.18  1.0
  Au  Au1  1  0.0  0.0  0.37  1.0

data_YPdAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   5.28
_cell_angle_alpha   113.4
_cell_angle_beta   113.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YPdAu2
_chemical_formula_sum   'Y1 Pd1 Au2'
_cell_volume   76.9
_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  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.91  0.1  0.91  1.0
  Au  Au2  1  0.63  0.0  0.63  1.0
  Au  Au3  1  0.82  0.0  0.91  1.0

Y Pd Au Au
Y Pd Au Au 0 1 o o o 0 2 o o o 1 2 o o o 1 3 o o o 2 3 o o o 