# generated using pymatgen
data_Nb2CN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.50452723
_cell_length_b   5.50452723
_cell_length_c   5.50452744
_cell_angle_alpha   33.54415229
_cell_angle_beta   33.54415229
_cell_angle_gamma   33.54415225
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CN
_chemical_formula_sum   'Nb2 C1 N1'
_cell_volume   45.36104297
_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  0.25659600  0.25659600  0.25659600  1.0
  Nb  Nb1  1  0.74340400  0.74340400  0.74340400  1.0
  C  C2  1  0.00000000  0.00000000  0.00000000  1.0
  N  N3  1  0.50000000  0.50000000  0.50000000  1.0