data_NaCd2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   133.73
_cell_angle_beta   133.73
_cell_angle_gamma   67.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCd2Fe
_chemical_formula_sum   'Na1 Cd2 Fe1'
_cell_volume   79.21
_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  0.11  0.0  0.23  1.0
  Cd  Cd1  1  0.0  0.0  0.46  1.0
  Fe  Fe2  1  0.0  0.11  0.23  1.0

data_NaCd2Fe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   5.36
_cell_angle_alpha   113.13
_cell_angle_beta   113.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCd2Fe
_chemical_formula_sum   'Na1 Cd2 Fe1'
_cell_volume   79.21
_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  0.54  0.0  0.54  1.0
  Cd  Cd2  1  0.77  0.0  0.88  1.0
  Fe  Fe3  1  0.88  0.11  0.88  1.0

Na Cd Cd Fe
Na Cd Cd Fe 0 3 o o o 0 1 o o o 1 3 o o o 1 2 o o o 2 3 o o o 