# generated using pymatgen
data_Nb6Al4CN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.09067979
_cell_length_b   7.09067979
_cell_length_c   7.08862299
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.16982093
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb6Al4CN
_chemical_formula_sum   'Nb12 Al8 C2 N2'
_cell_volume   356.39837714
_cell_formula_units_Z   2
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  0.79483535  0.95516465  0.37500000  1.0
  Nb  Nb1  1  0.70516465  0.04483535  0.87500000  1.0
  Nb  Nb2  1  0.20449197  0.45449197  0.12500000  1.0
  Nb  Nb3  1  0.29550803  0.54550803  0.62500000  1.0
  Nb  Nb4  1  0.95437425  0.37349036  0.79465421  1.0
  Nb  Nb5  1  0.04449833  0.87637170  0.70423422  1.0
  Nb  Nb6  1  0.45550167  0.12362830  0.20423422  1.0
  Nb  Nb7  1  0.54562575  0.62650964  0.29465421  1.0
  Nb  Nb8  1  0.37650964  0.79562575  0.95534579  1.0
  Nb  Nb9  1  0.87362830  0.70550167  0.04576578  1.0
  Nb  Nb10  1  0.12349036  0.20437425  0.45534579  1.0
  Nb  Nb11  1  0.62637170  0.29449833  0.54576578  1.0
  Al  Al12  1  0.17886078  0.82044105  0.32096717  1.0
  Al  Al13  1  0.32113922  0.17955895  0.82096717  1.0
  Al  Al14  1  0.82094966  0.32165936  0.17899594  1.0
  Al  Al15  1  0.67905034  0.67834064  0.67899594  1.0
  Al  Al16  1  0.57044105  0.42886078  0.92903283  1.0
  Al  Al17  1  0.42834064  0.92905034  0.57100406  1.0
  Al  Al18  1  0.92955895  0.57113922  0.42903283  1.0
  Al  Al19  1  0.07165936  0.07094966  0.07100406  1.0
  C  C20  1  0.12356870  0.62643130  0.87500000  1.0
  C  C21  1  0.37643130  0.37356870  0.37500000  1.0
  N  N22  1  0.87353666  0.12353666  0.62500000  1.0
  N  N23  1  0.62646334  0.87646334  0.12500000  1.0