data_NbC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.7
_cell_length_b   2.7
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   123.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbC3
_chemical_formula_sum   'Nb1 C3'
_cell_volume   33.54
_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  Nb3  1  0.0  0.0  0.76  1.0
  C  C0  1  0.27  0.0  0.9  1.0
  C  C1  1  0.0  0.0  0.0  1.0
  C  C2  1  0.27  0.0  0.62  1.0

data_NbC3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.54
_cell_length_b   2.7
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbC3
_chemical_formula_sum   'Nb1 C3'
_cell_volume   33.54
_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  Nb0  1  0.0  0.0  0.76  1.0
  C  C1  1  0.0  0.0  0.0  1.0
  C  C2  1  0.0  0.27  0.62  1.0
  C  C3  1  0.0  0.27  0.9  1.0

Nb C C C