data_[Ce4Fe4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Fe  1.8300  1.4000  0.8525
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [3.5003]
_cell_length_b [5.7260]
_cell_length_c [8.6480]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [CeFeC]
_chemical_formula_sum '[Ce4 Fe4 C4]'
_cell_volume [173.3286]
_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  0.1403  0.3398  0.8317  1.0
  Fe  Fe1  4  0.1092  0.6578  0.0789  1.0
  C  C2  4  0.1178  0.9629  0.9809  1.0
]