data_[Ce24C8Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  C  2.5500  0.7000  0.3000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.3926]
_cell_length_b [10.3477]
_cell_length_c [6.5892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7018]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce3CSe]
_chemical_formula_sum '[Ce24 C8 Se8]'
_cell_volume [944.7107]
_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
[
  Ce  Ce0  8  0.0858  0.4446  0.3861  1
  Ce  Ce1  8  0.0944  0.2631  0.9658  1
  Ce  Ce2  8  0.1049  0.0871  0.4811  1
  Se  Se3  8  0.2417  0.3713  0.7546  1
  C  C4  4  0.0000  0.0859  0.7500  1
  C  C5  4  0.0000  0.2471  0.2500  1
]