data_NaY2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45
_cell_length_b   6.45
_cell_length_c   3.36
_cell_angle_alpha   100.06
_cell_angle_beta   100.06
_cell_angle_gamma   117.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaY2Cd
_chemical_formula_sum   'Na1 Y2 Cd1'
_cell_volume   116.89
_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
  Na  Na1  1  0.0  0.0  0.0  1.0
  Y  Y2  1  0.11  0.76  0.58  1.0
  Y  Y3  1  0.11  0.24  0.58  1.0
  Cd  Cd0  1  0.35  0.0  0.0  1.0

data_NaY2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   6.4
_cell_length_c   6.45
_cell_angle_alpha   116.83
_cell_angle_beta   100.06
_cell_angle_gamma   99.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaY2Cd
_chemical_formula_sum   'Na1 Y2 Cd1'
_cell_volume   116.89
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Y  Y1  1  0.34  0.76  0.87  1.0
  Y  Y2  1  0.82  0.24  0.35  1.0
  Cd  Cd3  1  0.0  0.0  0.35  1.0

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