data_[Ce4Cd12As12]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [21.6779]
_cell_length_b [7.8049]
_cell_length_c [4.5060]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [Ce(CdAs)3]
_chemical_formula_sum '[Ce4 Cd12 As12]'
_cell_volume [762.3860]
_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  0.0000  0.0000  0.0012  1.0
  Cd  Cd1  8  0.1247  0.1672  0.4993  1.0
  Cd  Cd2  4  0.2500  0.3174  0.0486  1.0
  As  As3  8  0.0760  0.3331  0.0003  1.0
  As  As4  4  0.2500  0.1502  0.5512  1.0
]