data_CdFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.38
_cell_length_b   7.38
_cell_length_c   7.38
_cell_angle_alpha   151.01
_cell_angle_beta   151.01
_cell_angle_gamma   41.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdFe2
_chemical_formula_sum   'Cd2 Fe4'
_cell_volume   94.35
_cell_formula_units_Z   2
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
  Cd  Cd0  1  0.0  0.85  0.45  1.0
  Cd  Cd1  1  0.0  0.0  0.0  1.0
  Fe  Fe2  1  0.85  0.0  0.32  1.0
  Fe  Fe3  1  0.85  0.0  0.59  1.0
  Fe  Fe4  1  0.0  0.0  0.77  1.0
  Fe  Fe5  1  0.0  0.0  0.04  1.0

data_CdFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   3.7
_cell_length_c   7.38
_cell_angle_alpha   104.49
_cell_angle_beta   104.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdFe2
_chemical_formula_sum   'Cd2 Fe4'
_cell_volume   94.35
_cell_formula_units_Z   2
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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.6  0.45  0.6  1.0
  Fe  Fe2  1  0.04  0.04  0.04  1.0
  Fe  Fe3  1  0.32  0.47  0.47  1.0
  Fe  Fe4  1  0.59  0.74  0.74  1.0
  Fe  Fe5  1  0.77  0.77  0.77  1.0

Cd Cd Fe Fe Fe Fe
Cd Cd Fe Fe Fe Fe 0 2 - + o 0 4 o + o 0 3 - + o 1 5 o o o 3 4 + o o 