data_NbC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   5.64
_cell_angle_alpha   32.62
_cell_angle_beta   32.62
_cell_angle_gamma   32.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbC
_chemical_formula_sum   'Nb2 C2'
_cell_volume   46.45
_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  Nb2  1  0.0  0.0  0.42  1.0
  Nb  Nb3  1  0.0  0.0  0.6  1.0
  C  C0  1  0.0  0.0  0.35  1.0
  C  C1  1  0.0  0.0  0.67  1.0

data_NbC
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   5.49
_cell_length_b   3.17
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   108.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   NbC
_chemical_formula_sum   'Nb4 C4'
_cell_volume   92.9
_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, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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  0.0  0.09  1.0
  C  C1  4  0.0  0.0  0.16  1.0

Nb Nb C C
Nb Nb C C 0 2 o o o 1 3 o o o 