# generated using pymatgen
data_Nb3Al2FeN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.20615721
_cell_length_b   8.20615653
_cell_length_c   8.20615782
_cell_angle_alpha   59.99999884
_cell_angle_beta   60.00000159
_cell_angle_gamma   59.99999831
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3Al2FeN
_chemical_formula_sum   'Nb12 Al8 Fe4 N4'
_cell_volume   390.75495396
_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  0.80633542  0.80633542  0.19366458  1.0
  Nb  Nb1  1  0.19366458  0.19366458  0.80633542  1.0
  Nb  Nb2  1  0.80633542  0.19366458  0.80633542  1.0
  Nb  Nb3  1  0.19366458  0.80633542  0.19366458  1.0
  Nb  Nb4  1  0.19366458  0.80633542  0.80633542  1.0
  Nb  Nb5  1  0.80633542  0.19366458  0.19366458  1.0
  Nb  Nb6  1  0.44366458  0.44366458  0.05633542  1.0
  Nb  Nb7  1  0.05633542  0.05633542  0.44366458  1.0
  Nb  Nb8  1  0.44366458  0.05633542  0.44366458  1.0
  Nb  Nb9  1  0.05633542  0.44366458  0.05633542  1.0
  Nb  Nb10  1  0.05633542  0.44366458  0.44366458  1.0
  Nb  Nb11  1  0.44366458  0.05633542  0.05633542  1.0
  Al  Al12  1  0.74727941  0.41757420  0.41757420  1.0
  Al  Al13  1  0.41757420  0.74727941  0.41757420  1.0
  Al  Al14  1  0.41757420  0.41757420  0.74727941  1.0
  Al  Al15  1  0.41757420  0.41757420  0.41757420  1.0
  Al  Al16  1  0.50272059  0.83242580  0.83242580  1.0
  Al  Al17  1  0.83242580  0.50272059  0.83242580  1.0
  Al  Al18  1  0.83242580  0.83242580  0.50272059  1.0
  Al  Al19  1  0.83242580  0.83242580  0.83242580  1.0
  Fe  Fe20  1  0.12500000  0.62500000  0.62500000  1.0
  Fe  Fe21  1  0.62500000  0.12500000  0.62500000  1.0
  Fe  Fe22  1  0.62500000  0.62500000  0.12500000  1.0
  Fe  Fe23  1  0.62500000  0.62500000  0.62500000  1.0
  N  N24  1  0.62500000  0.12500000  0.12500000  1.0
  N  N25  1  0.12500000  0.62500000  0.12500000  1.0
  N  N26  1  0.12500000  0.12500000  0.62500000  1.0
  N  N27  1  0.12500000  0.12500000  0.12500000  1.0