data_[Ce12Co4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Co  1.8800  1.3500  0.7683
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3717]
_cell_length_b [6.1815]
_cell_length_c [8.9776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7845]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ce3CoC]
_chemical_formula_sum '[Ce12 Co4 C4]'
_cell_volume [393.6678]
_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  4  0.1175  0.5694  0.8517  1.0
  Ce  Ce1  4  0.2415  0.0874  0.0525  1.0
  Ce  Ce2  4  0.3689  0.5975  0.2405  1.0
  Co  Co3  4  0.4547  0.1873  0.4466  1.0
  C  C4  4  0.0629  0.7426  0.0855  1.0
]