data_Y2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   10.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2Cd
_chemical_formula_sum   'Y8 Cd4'
_cell_volume   358.54
_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  0.0  1.0
  Y  Y5  1  0.0  0.0  0.31  1.0
  Y  Y6  1  0.0  0.83  0.96  1.0
  Y  Y7  1  0.46  0.49  0.96  1.0
  Y  Y8  1  0.59  0.92  0.65  1.0
  Y  Y9  1  0.54  0.49  0.96  1.0
  Y  Y10  1  0.66  0.92  0.65  1.0
  Y  Y11  1  0.12  0.58  0.65  1.0
  Cd  Cd0  1  0.0  0.61  0.77  1.0
  Cd  Cd1  1  0.0  0.61  0.54  1.0
  Cd  Cd2  1  0.12  0.8  0.08  1.0
  Cd  Cd3  1  0.12  0.8  0.85  1.0

data_Y2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   10.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2Cd
_chemical_formula_sum   'Y8 Cd4'
_cell_volume   358.54
_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  0.0  1.0
  Y  Y1  1  0.0  0.0  0.31  1.0
  Y  Y2  1  0.0  0.83  0.96  1.0
  Y  Y3  1  0.12  0.58  0.65  1.0
  Y  Y4  1  0.46  0.49  0.96  1.0
  Y  Y5  1  0.54  0.49  0.96  1.0
  Y  Y6  1  0.59  0.92  0.65  1.0
  Y  Y7  1  0.66  0.92  0.65  1.0
  Cd  Cd8  1  0.0  0.61  0.54  1.0
  Cd  Cd9  1  0.0  0.61  0.77  1.0
  Cd  Cd10  1  0.12  0.8  0.08  1.0
  Cd  Cd11  1  0.12  0.8  0.85  1.0

Y Y Y Y Y Y Y Y Cd Cd Cd Cd
Y Y Y Y Y Y Y Y Cd Cd Cd Cd 0 2 o - - 0 1 o o o 1 10 o - o 1 9 o - o 2 10 o o + 2 11 o o o 3 5 o o o 4 6 o o o 7 9 o o o 7 8 o o o 8 11 o o o 