data_[Ce12Se24]
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 [C2/m]
_cell_length_a [16.8463]
_cell_length_b [5.5671]
_cell_length_c [10.8632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1647]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeSe2]
_chemical_formula_sum '[Ce12 Se24]'
_cell_volume [962.3505]
_cell_formula_units_Z [12]
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  0.0072  0.5000  0.2635  1.0
  Ce  Ce1  4  0.1349  0.0000  0.6264  1.0
  Ce  Ce2  4  0.1711  0.0000  0.1350  1.0
  Se  Se3  8  0.1623  0.2555  0.8743  1.0
  Se  Se4  4  0.0000  0.2479  0.0000  1.0
  Se  Se5  4  0.0409  0.0000  0.3408  1.0
  Se  Se6  4  0.1161  0.5000  0.5647  1.0
  Se  Se7  4  0.1826  0.5000  0.2599  1.0
]