data_NaCdFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   5.73
_cell_angle_alpha   150.71
_cell_angle_beta   132.22
_cell_angle_gamma   57.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCdFe2
_chemical_formula_sum   'Na1 Cd1 Fe2'
_cell_volume   67.68
_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
  Cd  Cd0  1  0.0  0.0  0.03  1.0
  Fe  Fe1  1  0.45  0.0  0.65  1.0
  Fe  Fe2  1  0.0  0.32  0.38  1.0

data_NaCdFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.64
_cell_length_c   5.73
_cell_angle_alpha   113.89
_cell_angle_beta   104.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCdFe2
_chemical_formula_sum   'Na1 Cd1 Fe2'
_cell_volume   67.68
_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
  Cd  Cd1  1  0.0  0.03  0.03  1.0
  Fe  Fe2  1  0.0  0.65  0.2  1.0
  Fe  Fe3  1  0.68  0.06  0.06  1.0

Na Cd Fe Fe