data_YAl2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   7.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAl2Ag
_chemical_formula_sum   'Y1 Al2 Ag1'
_cell_volume   79.61
_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  0.6  1.0
  Al  Al1  1  0.0  0.0  0.02  1.0
  Al  Al2  1  0.32  0.0  0.64  1.0
  Ag  Ag0  1  0.32  0.0  0.44  1.0

data_YAl2Ag
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   7.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   YAl2Ag
_chemical_formula_sum   'Y1 Al2 Ag1'
_cell_volume   79.67
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.6  1.0
  Al  Al1  1  0.0  0.0  0.02  1.0
  Al  Al2  1  0.32  0.0  0.64  1.0
  Ag  Ag3  1  0.32  0.0  0.44  1.0

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