data_[Nb20C14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.4997]
_cell_length_b [15.7493]
_cell_length_c [5.5096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5785]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nb10C7]
_chemical_formula_sum '[Nb20 C14]'
_cell_volume [449.6304]
_cell_formula_units_Z [2]
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
[
  Nb  Nb0  8  0.2434  0.1959  0.2689  1.0
  Nb  Nb1  8  0.2494  0.3979  0.2408  1.0
  Nb  Nb2  4  0.2358  0.5000  0.7642  1.0
  C  C3  4  0.0000  0.1008  0.0000  1.0
  C  C4  4  0.0000  0.1997  0.5000  1.0
  C  C5  4  0.0000  0.3990  0.5000  1.0
  C  C6  2  0.0000  0.5000  0.0000  1.0
]