data_Y2ZrCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   3.45
_cell_angle_alpha   90.83
_cell_angle_beta   90.83
_cell_angle_gamma   103.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ZrCd
_chemical_formula_sum   'Y2 Zr1 Cd1'
_cell_volume   107.25
_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  0.72  0.21  0.73  1.0
  Y  Y2  1  0.72  0.79  0.73  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.51  0.0  0.0  1.0

data_Y2ZrCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   5.65
_cell_length_c   5.65
_cell_angle_alpha   103.13
_cell_angle_beta   90.83
_cell_angle_gamma   90.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ZrCd
_chemical_formula_sum   'Y2 Zr1 Cd1'
_cell_volume   107.25
_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  0.73  0.72  0.21  1.0
  Y  Y1  1  0.73  0.72  0.79  1.0
  Zr  Zr2  1  0.0  0.0  0.0  1.0
  Cd  Cd3  1  0.0  0.51  0.0  1.0

Y Y Zr Cd