data_[Ce8C2Se6]
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 [P2/c]
_cell_length_a [7.1767]
_cell_length_b [8.1954]
_cell_length_c [6.9723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3746]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Ce4CSe3]
_chemical_formula_sum '[Ce8 C2 Se6]'
_cell_volume [386.8572]
_cell_formula_units_Z [2]
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  0.2137  0.1072  0.0017  1
  Ce  Ce1  4  0.2282  0.3508  0.4762  1
  C  C2  2  0.0000  0.1272  0.2500  1
  Se  Se3  2  0.0000  0.3752  0.7500  1
  Se  Se4  2  0.5000  0.1242  0.7500  1
  Se  Se5  2  0.5000  0.3770  0.2500  1
]