data_YPb2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   6.16
_cell_angle_alpha   140.07
_cell_angle_beta   134.54
_cell_angle_gamma   62.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YPb2Au
_chemical_formula_sum   'Y1 Pb2 Au1'
_cell_volume   105.74
_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
  Pb  Pb1  1  0.1  0.0  0.82  1.0
  Pb  Pb2  1  0.0  0.38  0.46  1.0
  Au  Au0  1  0.0  0.0  0.28  1.0

data_YPb2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   4.76
_cell_length_c   6.16
_cell_angle_alpha   112.73
_cell_angle_beta   109.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YPb2Au
_chemical_formula_sum   'Y1 Pb2 Au1'
_cell_volume   105.74
_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
  Pb  Pb1  1  0.0  0.82  0.71  1.0
  Pb  Pb2  1  0.62  0.08  0.08  1.0
  Au  Au3  1  0.0  0.28  0.28  1.0

Y Pb Pb Au