data_[Ce4Ni4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ni  1.9100  1.3500  0.7400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [5.4605]
_cell_length_b [5.4802]
_cell_length_c [7.5425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6237]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [CeNiC2]
_chemical_formula_sum '[Ce4 Ni4 C8]'
_cell_volume [220.2489]
_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  0.0009  0.0799  0.5011  1
  Ni  Ni1  4  0.4432  0.0746  0.3048  1
  C  C2  4  0.0204  0.4226  0.0735  1
  C  C3  4  0.1690  0.3180  0.2236  1
]