data_NbC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   2.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbC
_chemical_formula_sum   'Nb3 C3'
_cell_volume   77.28
_cell_formula_units_Z   3
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  Nb3  1  0.99  0.76  0.0  1.0
  Nb  Nb4  1  0.73  0.0  0.0  1.0
  Nb  Nb5  1  0.03  0.0  0.0  1.0
  C  C0  1  0.0  0.0  0.0  1.0
  C  C1  1  0.75  0.59  0.48  1.0
  C  C2  1  0.0  0.17  0.48  1.0

data_NbC
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbC
_chemical_formula_sum   'Nb3 C3'
_cell_volume   77.28
_cell_formula_units_Z   3
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  0.0  0.03  0.0  1.0
  Nb  Nb1  1  0.0  0.73  0.0  1.0
  Nb  Nb2  1  0.0  0.99  0.76  1.0
  C  C3  1  0.0  0.0  0.0  1.0
  C  C4  1  0.48  -0.0  0.17  1.0
  C  C5  1  0.48  0.75  0.59  1.0

Nb Nb Nb C C C