data_YCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   8.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCd
_chemical_formula_sum   'Y4 Cd4'
_cell_volume   223.16
_cell_formula_units_Z   4
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  Y4  1  0.0  0.0  0.2  1.0
  Y  Y5  1  0.0  0.0  0.59  1.0
  Y  Y6  1  0.71  0.56  0.59  1.0
  Y  Y7  1  0.0  0.13  0.2  1.0
  Cd  Cd0  1  0.71  0.56  0.8  1.0
  Cd  Cd1  1  0.0  0.13  0.2  1.0
  Cd  Cd2  1  0.0  0.13  0.99  1.0
  Cd  Cd3  1  0.71  0.56  0.6  1.0

data_YCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   8.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCd
_chemical_formula_sum   'Y4 Cd4'
_cell_volume   223.16
_cell_formula_units_Z   4
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  0.2  1.0
  Y  Y1  1  0.0  0.0  0.59  1.0
  Y  Y2  1  0.0  0.13  0.2  1.0
  Y  Y3  1  0.71  0.56  0.59  1.0
  Cd  Cd4  1  0.0  0.13  0.2  1.0
  Cd  Cd5  1  0.0  0.13  0.99  1.0
  Cd  Cd6  1  0.71  0.56  0.6  1.0
  Cd  Cd7  1  0.71  0.56  0.8  1.0

Y Y Y Y Cd Cd Cd Cd 0 5 o o o 0 3 o o o 0 6 o o - 1 7 - - o 1 2 - - o 2 7 o o o 2 4 o o o 3 5 o o o 3 6 o o - 4 7 o o o 5 6 o o - 