data_[Ce8W4C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  W  2.3600  1.3500  0.7667
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.8927]
_cell_length_b [5.3500]
_cell_length_c [6.5492]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6317]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce2WC3]
_chemical_formula_sum '[Ce8 W4 C12]'
_cell_volume [363.7330]
_cell_formula_units_Z [4]
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  0.1750  0.4992  0.0876  1
  W  W1  4  0.0000  0.0454  0.2500  1
  C  C2  8  0.1425  0.0029  0.0708  1
  C  C3  4  0.0000  0.4027  0.2500  1
]