data_Y2CdAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   3.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2CdAg
_chemical_formula_sum   'Y2 Cd1 Ag1'
_cell_volume   101.57
_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  Y2  1  0.83  0.15  0.88  1.0
  Y  Y3  1  0.83  0.85  0.88  1.0
  Cd  Cd1  1  0.66  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_Y2CdAg
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.75
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Y2CdAg
_chemical_formula_sum   'Y2 Cd1 Ag1'
_cell_volume   101.57
_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  2  0.88  0.15  0.83  1.0
  Cd  Cd1  1  0.0  0.0  0.66  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0

Y Y Cd Ag
Y Y Cd Ag 0 2 o o + 0 3 + o + 1 2 o + + 1 3 + + + 