data_[Ce4Zn4Cd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Zn  1.6500  1.3500  0.8800
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.0312]
_cell_length_b [4.5594]
_cell_length_c [11.7849]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CeZnCd3]
_chemical_formula_sum '[Ce4 Zn4 Cd12]'
_cell_volume [485.2655]
_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  0.1892  0.2500  0.0040  1.0
  Zn  Zn1  4  0.1208  0.2500  0.6300  1.0
  Cd  Cd2  4  0.0659  0.2500  0.4006  1.0
  Cd  Cd3  4  0.0988  0.7500  0.2067  1.0
  Cd  Cd4  4  0.1347  0.7500  0.7976  1.0
]