data_NaCdFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.04
_cell_angle_alpha   109.85
_cell_angle_beta   109.85
_cell_angle_gamma   30.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCdFe2
_chemical_formula_sum   'Na1 Cd1 Fe2'
_cell_volume   70.59
_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  0.43  0.0  0.44  1.0
  Cd  Cd0  1  0.2  0.0  0.03  1.0
  Fe  Fe1  1  0.37  0.0  0.65  1.0
  Fe  Fe2  1  0.65  0.0  0.67  1.0

data_NaCdFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   5.04
_cell_length_c   5.41
_cell_angle_alpha   109.85
_cell_angle_beta   105.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCdFe2
_chemical_formula_sum   'Na1 Cd1 Fe2'
_cell_volume   70.59
_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  0.44  0.43  1.0
  Cd  Cd1  1  0.0  0.03  0.2  1.0
  Fe  Fe2  1  0.0  0.65  0.37  1.0
  Fe  Fe3  1  0.0  0.67  0.65  1.0

Na Cd Fe Fe