# generated using pymatgen
data_Nb3Al2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.06342329
_cell_length_b   7.06342329
_cell_length_c   7.06342329
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3Al2N
_chemical_formula_sum   'Nb12 Al8 N4'
_cell_volume   352.40795154
_cell_formula_units_Z   4
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  0.79543796  0.95456204  0.37500000  1.0
  Nb  Nb1  1  0.70456204  0.04543796  0.87500000  1.0
  Nb  Nb2  1  0.20456204  0.45456204  0.12500000  1.0
  Nb  Nb3  1  0.29543796  0.54543796  0.62500000  1.0
  Nb  Nb4  1  0.95456204  0.37500000  0.79543796  1.0
  Nb  Nb5  1  0.04543796  0.87500000  0.70456204  1.0
  Nb  Nb6  1  0.45456204  0.12500000  0.20456204  1.0
  Nb  Nb7  1  0.54543796  0.62500000  0.29543796  1.0
  Nb  Nb8  1  0.37500000  0.79543796  0.95456204  1.0
  Nb  Nb9  1  0.87500000  0.70456204  0.04543796  1.0
  Nb  Nb10  1  0.12500000  0.20456204  0.45456204  1.0
  Nb  Nb11  1  0.62500000  0.29543796  0.54543796  1.0
  Al  Al12  1  0.17855162  0.82144838  0.32144838  1.0
  Al  Al13  1  0.32144838  0.17855162  0.82144838  1.0
  Al  Al14  1  0.82144838  0.32144838  0.17855162  1.0
  Al  Al15  1  0.67855162  0.67855162  0.67855162  1.0
  Al  Al16  1  0.57144838  0.42855162  0.92855162  1.0
  Al  Al17  1  0.42855162  0.92855162  0.57144838  1.0
  Al  Al18  1  0.92855162  0.57144838  0.42855162  1.0
  Al  Al19  1  0.07144838  0.07144838  0.07144838  1.0
  N  N20  1  0.87500000  0.12500000  0.62500000  1.0
  N  N21  1  0.62500000  0.87500000  0.12500000  1.0
  N  N22  1  0.12500000  0.62500000  0.87500000  1.0
  N  N23  1  0.37500000  0.37500000  0.37500000  1.0