[CIF]
data_NbC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42143637
_cell_length_b   4.42143637
_cell_length_c   4.31452465
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbC
_chemical_formula_sum   'Nb3 C3'
_cell_volume   84.34507200
_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
  C  C0  1  0.00000000  0.00000000  0.00000000  1
  C  C1  1  2.21071819  0.00000000  2.15726233  1
  C  C2  1  0.00000000  2.21071819  2.15726233  1
  Nb  Nb3  1  0.00000000  0.00000000  2.15726233  1
  Nb  Nb4  1  0.00000000  2.21071819  0.00000000  1
  Nb  Nb5  1  2.21071819  0.00000000  0.00000000  1
[/CIF]
