data_[Ce2Cd4Fe2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Cd  1.6900  1.5500  1.0900
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.9874]
_cell_length_b [8.6477]
_cell_length_c [5.2390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5791]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeCd2Fe]
_chemical_formula_sum '[Ce2 Cd4 Fe2]'
_cell_volume [174.8335]
_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
[
  Ce  Ce0  2  0.0216  0.7500  0.1715  1.0
  Cd  Cd1  4  0.3855  0.5612  0.7235  1.0
  Fe  Fe2  2  0.1761  0.2500  0.5051  1.0
]