data_NaLa2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63
_cell_length_b   6.63
_cell_length_c   3.47
_cell_angle_alpha   100.06
_cell_angle_beta   100.06
_cell_angle_gamma   117.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLa2Cd
_chemical_formula_sum   'Na1 La2 Cd1'
_cell_volume   127.53
_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  Na3  1  0.0  0.0  0.0  1.0
  La  La1  1  0.14  0.17  0.63  1.0
  La  La2  1  0.14  0.83  0.63  1.0
  Cd  Cd0  1  0.45  0.0  0.0  1.0

data_NaLa2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   6.6
_cell_length_c   6.63
_cell_angle_alpha   116.89
_cell_angle_beta   100.06
_cell_angle_gamma   100.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLa2Cd
_chemical_formula_sum   'Na1 La2 Cd1'
_cell_volume   127.53
_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
  La  La1  1  0.46  0.83  0.97  1.0
  La  La2  1  0.8  0.17  0.31  1.0
  Cd  Cd3  1  0.0  0.0  0.45  1.0

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