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 [5.3365]
_cell_length_b [5.3513]
_cell_length_c [7.4558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4116]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [CeNiC2]
_chemical_formula_sum '[Ce4 Ni4 C8]'
_cell_volume [208.7066]
_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  0.0026  0.0729  0.9979  1.0
  Ni  Ni1  4  0.0532  0.4283  0.6955  1.0
  C  C2  4  0.3288  0.1880  0.7756  1.0
  C  C3  4  0.4819  0.0785  0.9279  1.0
]