data_NbC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.98
_cell_length_b   8.98
_cell_length_c   8.98
_cell_angle_alpha   161.4
_cell_angle_beta   161.4
_cell_angle_gamma   26.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbC3
_chemical_formula_sum   'Nb2 C6'
_cell_volume   73.71
_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  Nb6  1  0.0  0.0  0.35  1.0
  Nb  Nb7  1  0.0  0.0  0.14  1.0
  C  C0  1  0.0  0.45  0.0  1.0
  C  C1  1  0.45  0.0  0.0  1.0
  C  C2  1  0.45  0.0  0.37  1.0
  C  C3  1  0.0  0.45  0.37  1.0
  C  C4  1  0.0  0.0  0.62  1.0
  C  C5  1  0.0  0.0  0.87  1.0

data_NbC3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   8.98
_cell_angle_alpha   90.0
_cell_angle_beta   103.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbC3
_chemical_formula_sum   'Nb4 C12'
_cell_volume   147.41
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.65  1.0
  Nb  Nb1  2  0.0  0.0  0.86  1.0
  C  C2  4  0.23  0.23  0.45  1.0
  C  C3  4  0.23  0.23  0.08  1.0
  C  C4  2  0.0  0.0  0.13  1.0
  C  C5  2  0.0  0.0  0.38  1.0

Nb Nb C C C C C C