data_YAl2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.29
_cell_angle_alpha   103.78
_cell_angle_beta   103.78
_cell_angle_gamma   38.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAl2Cd
_chemical_formula_sum   'Y1 Al2 Cd1'
_cell_volume   88.2
_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  0.52  0.0  0.9  1.0
  Al  Al0  1  0.1  0.0  0.17  1.0
  Al  Al1  1  0.03  0.0  0.26  1.0
  Cd  Cd2  1  0.22  0.0  0.36  1.0

data_YAl2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   5.25
_cell_length_c   5.29
_cell_angle_alpha   103.78
_cell_angle_beta   90.0
_cell_angle_gamma   109.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAl2Cd
_chemical_formula_sum   'Y1 Al2 Cd1'
_cell_volume   88.2
_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  0.48  0.1  1.0
  Al  Al1  1  0.0  0.9  0.83  1.0
  Al  Al2  1  0.0  0.97  0.74  1.0
  Cd  Cd3  1  0.0  0.78  0.64  1.0

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