data_YCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   6.0
_cell_angle_alpha   135.59
_cell_angle_beta   135.59
_cell_angle_gamma   64.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCd
_chemical_formula_sum   'Y2 Cd2'
_cell_volume   104.46
_cell_formula_units_Z   2
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  0.0  0.0  0.0  1.0
  Y  Y3  1  0.0  0.27  0.54  1.0
  Cd  Cd0  1  0.27  0.0  0.54  1.0
  Cd  Cd1  1  0.0  0.0  0.07  1.0

data_YCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   6.0
_cell_angle_alpha   112.21
_cell_angle_beta   112.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCd
_chemical_formula_sum   'Y2 Cd2'
_cell_volume   104.46
_cell_formula_units_Z   2
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
  Y  Y1  1  0.73  0.27  0.73  1.0
  Cd  Cd2  1  0.46  0.0  0.73  1.0
  Cd  Cd3  1  0.93  0.0  0.93  1.0

Y Y Cd Cd
Y Y Cd Cd 0 3 o o o 1 3 o o o 1 2 o o o 2 3 o o o 