data_[Nd4Co4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Co  1.8800  1.3500  0.7683
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [5.3694]
_cell_length_b [5.3721]
_cell_length_c [7.4049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6610]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [NdCoC2]
_chemical_formula_sum '[Nd4 Co4 C8]'
_cell_volume [209.1878]
_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
[
  Nd  Nd0  4  0.0036  0.0727  0.9520  1.0
  Co  Co1  4  0.4458  0.0711  0.7576  1.0
  C  C2  4  0.0208  0.4243  0.5252  1.0
  C  C3  4  0.1739  0.3192  0.6782  1.0
]