data_NaYCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.44
_cell_length_b   10.44
_cell_length_c   10.44
_cell_angle_alpha   19.58
_cell_angle_beta   19.58
_cell_angle_gamma   19.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaYCd2
_chemical_formula_sum   'Na1 Y1 Cd2'
_cell_volume   111.86
_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  Na2  1  0.0  0.0  0.0  1.0
  Y  Y3  1  0.0  0.0  0.36  1.0
  Cd  Cd0  1  0.0  0.0  0.64  1.0
  Cd  Cd1  1  0.0  0.0  0.08  1.0

data_NaYCd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.15
_cell_length_b   3.55
_cell_length_c   10.44
_cell_angle_alpha   90.0
_cell_angle_beta   101.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaYCd2
_chemical_formula_sum   'Na2 Y2 Cd4'
_cell_volume   223.72
_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
  Na  Na0  2  0.0  0.0  0.0  1.0
  Y  Y1  2  0.0  0.0  0.64  1.0
  Cd  Cd2  2  0.0  0.0  0.36  1.0
  Cd  Cd3  2  0.0  0.0  0.92  1.0

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