data_Nb3C5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62
_cell_length_b   6.62
_cell_length_c   4.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3C5
_chemical_formula_sum   'Nb6 C10'
_cell_volume   164.47
_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  Nb10  1  0.81  0.06  0.25  1.0
  Nb  Nb11  1  0.88  0.67  0.08  1.0
  Nb  Nb12  1  0.12  0.67  0.25  1.0
  Nb  Nb13  1  0.38  0.0  0.25  1.0
  Nb  Nb14  1  0.24  0.0  0.08  1.0
  Nb  Nb15  1  0.19  0.06  0.08  1.0
  C  C0  1  0.31  0.91  0.17  1.0
  C  C1  1  0.0  0.82  0.0  1.0
  C  C2  1  0.0  0.82  0.17  1.0
  C  C3  1  0.31  0.91  0.0  1.0
  C  C4  1  0.45  0.41  0.25  1.0
  C  C5  1  0.23  0.33  0.08  1.0
  C  C6  1  0.77  0.33  0.25  1.0
  C  C7  1  0.09  0.0  0.25  1.0
  C  C8  1  0.53  0.0  0.08  1.0
  C  C9  1  0.55  0.41  0.08  1.0

data_Nb3C5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.33
_cell_length_b   6.62
_cell_length_c   6.62
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3C5
_chemical_formula_sum   'Nb6 C10'
_cell_volume   164.47
_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  1  0.08  0.19  0.06  1.0
  Nb  Nb1  1  0.08  0.24  0.0  1.0
  Nb  Nb2  1  0.08  0.88  0.67  1.0
  Nb  Nb3  1  0.25  0.12  0.67  1.0
  Nb  Nb4  1  0.25  0.38  0.0  1.0
  Nb  Nb5  1  0.25  0.81  0.06  1.0
  C  C6  1  -0.0  0.31  0.91  1.0
  C  C7  1  -0.0  -0.0  0.82  1.0
  C  C8  1  0.08  0.23  0.33  1.0
  C  C9  1  0.08  0.53  0.0  1.0
  C  C10  1  0.08  0.55  0.41  1.0
  C  C11  1  0.17  -0.0  0.82  1.0
  C  C12  1  0.17  0.31  0.91  1.0
  C  C13  1  0.25  0.09  0.0  1.0
  C  C14  1  0.25  0.45  0.41  1.0
  C  C15  1  0.25  0.77  0.33  1.0

Nb Nb Nb Nb Nb Nb C C C C C C C C C C
Nb Nb Nb Nb Nb Nb C C C C C C C C C C 0 14 o o o 0 12 o o o 0 13 + o o 1 7 + o o 1 8 + o o 1 2 + o o 1 12 o o o 2 8 o o o 2 7 o o o 2 6 o o o 2 9 o o o 2 12 - o o 3 6 o - o 3 12 o o o 3 14 o o o 4 5 o o o 5 11 o o o 5 13 o o o 6 9 o o o 6 14 o + o 7 8 o o o 8 13 o + o 9 14 o + o 10 15 o o o 10 11 o o o 10 12 o o o 12 14 o o o 12 15 o o o 