data_Nb8C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94
_cell_length_b   6.94
_cell_length_c   6.94
_cell_angle_alpha   93.22
_cell_angle_beta   93.22
_cell_angle_gamma   152.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb8C
_chemical_formula_sum   'Nb8 C1'
_cell_volume   149.35
_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  Nb1  1  0.44  0.56  0.64  1.0
  Nb  Nb2  1  0.56  0.44  0.64  1.0
  Nb  Nb3  1  0.13  0.0  0.0  1.0
  Nb  Nb4  1  0.44  0.44  0.64  1.0
  Nb  Nb5  1  0.0  0.13  0.0  1.0
  Nb  Nb6  1  0.32  0.32  0.0  1.0
  Nb  Nb7  1  0.4  0.0  0.0  1.0
  Nb  Nb8  1  0.0  0.4  0.0  1.0
  C  C0  1  0.0  0.0  0.0  1.0

data_Nb8C
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.29
_cell_length_b   13.48
_cell_length_c   6.94
_cell_angle_alpha   90.0
_cell_angle_beta   103.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb8C
_chemical_formula_sum   'Nb16 C2'
_cell_volume   298.71
_cell_formula_units_Z   2
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  4  0.0  0.44  0.36  1.0
  Nb  Nb1  4  0.3  0.7  0.0  1.0
  Nb  Nb2  4  0.43  0.57  0.0  1.0
  Nb  Nb3  2  0.06  0.5  0.36  1.0
  Nb  Nb4  2  0.18  0.5  0.0  1.0
  C  C5  2  0.0  0.0  0.0  1.0

Nb Nb Nb Nb Nb Nb Nb Nb C