data_Y3Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.61
_cell_length_b   3.61
_cell_length_c   9.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Cd
_chemical_formula_sum   'Y3 Cd1'
_cell_volume   118.05
_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  Y1  1  0.0  0.0  0.0  1.0
  Y  Y2  1  0.81  0.81  0.55  1.0
  Y  Y3  1  0.81  0.81  0.49  1.0
  Cd  Cd0  1  0.0  0.0  0.52  1.0

data_Y3Cd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   9.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y3Cd
_chemical_formula_sum   'Y6 Cd2'
_cell_volume   236.1
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Y  Y1  2  0.31  0.5  0.49  1.0
  Y  Y2  2  0.31  0.5  0.55  1.0
  Cd  Cd3  2  0.0  0.0  0.52  1.0

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