data_[Ce32Se64]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [16.9988]
_cell_length_b [16.9988]
_cell_length_c [34.6765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [CeSe2]
_chemical_formula_sum '[Ce32 Se64]'
_cell_volume [10020.1001]
_cell_formula_units_Z [32]
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  32  0.1479  0.1589  0.4280  1
  Se  Se1  16  0.0000  0.1436  0.5767  1
  Se  Se2  16  0.0000  0.2142  0.4151  1
  Se  Se3  16  0.1975  0.1975  0.5000  1
  Se  Se4  16  0.2178  0.2500  0.6250  1
]