data_YAl2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37
_cell_length_b   4.57
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   91.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAl2Ag
_chemical_formula_sum   'Y1 Al2 Ag1'
_cell_volume   85.61
_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
  Al  Al1  1  0.5  0.29  0.17  1.0
  Al  Al2  1  0.72  0.29  0.38  1.0
  Ag  Ag0  1  0.61  0.0  0.78  1.0

data_YAl2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.57
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   91.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAl2Ag
_chemical_formula_sum   'Y1 Al2 Ag1'
_cell_volume   85.61
_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
  Al  Al1  1  0.5  0.29  0.17  1.0
  Al  Al2  1  0.72  0.29  0.38  1.0
  Ag  Ag3  1  0.61  0.0  0.78  1.0

Y Al Al Ag
Y Al Al Ag 0 3 - o - 1 2 o o o 