data_Nb6C5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.51
_cell_angle_alpha   99.72
_cell_angle_beta   99.72
_cell_angle_gamma   119.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb6C5
_chemical_formula_sum   'Nb6 C5'
_cell_volume   136.05
_cell_formula_units_Z   1
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  Nb5  1  0.88  0.0  0.96  1.0
  Nb  Nb6  1  0.78  0.0  0.22  1.0
  Nb  Nb7  1  0.78  0.32  0.91  1.0
  Nb  Nb8  1  0.87  0.32  0.28  1.0
  Nb  Nb9  1  0.78  0.68  0.91  1.0
  Nb  Nb10  1  0.87  0.68  0.28  1.0
  C  C0  1  0.0  0.0  0.0  1.0
  C  C1  1  0.83  0.19  0.59  1.0
  C  C2  1  0.76  0.41  0.0  1.0
  C  C3  1  0.83  0.81  0.59  1.0
  C  C4  1  0.76  0.59  0.0  1.0

data_Nb6C5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.51
_cell_angle_alpha   99.72
_cell_angle_beta   99.72
_cell_angle_gamma   119.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb6C5
_chemical_formula_sum   'Nb6 C5'
_cell_volume   136.05
_cell_formula_units_Z   1
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  1  0.78  0.0  0.22  1.0
  Nb  Nb1  1  0.78  0.32  0.91  1.0
  Nb  Nb2  1  0.78  0.68  0.91  1.0
  Nb  Nb3  1  0.87  0.32  0.28  1.0
  Nb  Nb4  1  0.87  0.68  0.28  1.0
  Nb  Nb5  1  0.88  0.0  0.96  1.0
  C  C6  1  0.0  0.0  0.0  1.0
  C  C7  1  0.76  0.41  0.0  1.0
  C  C8  1  0.76  0.59  0.0  1.0
  C  C9  1  0.83  0.19  0.59  1.0
  C  C10  1  0.83  0.81  0.59  1.0

Nb Nb Nb Nb Nb Nb C C C C C