data_NaNb2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.86
_cell_angle_alpha   148.63
_cell_angle_beta   124.92
_cell_angle_gamma   64.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNb2Cd
_chemical_formula_sum   'Na1 Nb2 Cd1'
_cell_volume   84.75
_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  0.45  1.0
  Nb  Nb2  1  0.58  0.0  0.27  1.0
  Nb  Nb3  1  0.0  0.0  0.24  1.0
  Cd  Cd0  1  0.58  0.0  0.87  1.0

data_NaNb2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   5.41
_cell_length_c   5.86
_cell_angle_alpha   117.54
_cell_angle_beta   105.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNb2Cd
_chemical_formula_sum   'Na1 Nb2 Cd1'
_cell_volume   84.75
_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  0.55  0.55  0.55  1.0
  Nb  Nb1  1  0.32  0.73  0.32  1.0
  Nb  Nb2  1  0.76  0.76  0.76  1.0
  Cd  Cd3  1  0.71  0.13  0.71  1.0

Na Nb Nb Cd