# generated using pymatgen
data_NbC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18770178
_cell_length_b   3.18770151
_cell_length_c   3.18770151
_cell_angle_alpha   59.99999987
_cell_angle_beta   60.00000273
_cell_angle_gamma   60.00000501
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbC
_chemical_formula_sum   'Nb1 C1'
_cell_volume   22.90435195
_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  -0.00000000  0.00000000  -0.00000000  1.0
  C  C1  1  0.50000000  0.50000000  0.50000000  1.0