data_[Ce4Nb4Cd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Nb  1.6000  1.4500  0.8200
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5577]
_cell_length_b [4.7240]
_cell_length_c [4.6779]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4508]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeNbCd]
_chemical_formula_sum '[Ce4 Nb4 Cd4]'
_cell_volume [277.2519]
_cell_formula_units_Z [4]
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  4  0.0915  0.5000  0.8126  1
  Nb  Nb1  4  0.2372  0.5000  0.1817  1
  Cd  Cd2  4  0.1015  0.0000  0.3080  1
]