data_[Al16Cd8Se32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cd  1.6900  1.5500  1.0900
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [10.9705]
_cell_length_b [10.9705]
_cell_length_c [10.9705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [227]
_chemical_formula_structural [Al2CdSe4]
_chemical_formula_sum '[Al16 Cd8 Se32]'
_cell_volume [1320.3151]
_cell_formula_units_Z [8]
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
[
  Al  Al0  16  0.1250  0.1250  0.6250  1.0
  Cd  Cd1  8  0.0000  0.0000  0.0000  1.0
  Se  Se2  32  0.1110  0.1110  0.3890  1.0
]