# generated using pymatgen
data_AlFeN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11199239
_cell_length_b   10.59897531
_cell_length_c   12.80555380
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFeN2
_chemical_formula_sum   'Al16 Fe16 N32'
_cell_volume   693.82899375
_cell_formula_units_Z   16
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
  Al  Al0  1  0.62171900  0.04130600  0.18420300  1
  Al  Al1  1  0.12171900  0.45869400  0.81579700  1
  Al  Al2  1  0.37828100  0.54130600  0.31579700  1
  Al  Al3  1  0.87828100  0.95869400  0.68420300  1
  Al  Al4  1  0.37828100  0.95869400  0.81579700  1
  Al  Al5  1  0.87828100  0.54130600  0.18420300  1
  Al  Al6  1  0.62171900  0.45869400  0.68420300  1
  Al  Al7  1  0.12171900  0.04130600  0.31579700  1
  Al  Al8  1  0.80502500  0.29340500  0.06405200  1
  Al  Al9  1  0.30502500  0.20659500  0.93594800  1
  Al  Al10  1  0.19497500  0.79340500  0.43594800  1
  Al  Al11  1  0.69497500  0.70659500  0.56405200  1
  Al  Al12  1  0.19497500  0.70659500  0.93594800  1
  Al  Al13  1  0.69497500  0.79340500  0.06405200  1
  Al  Al14  1  0.80502500  0.20659500  0.56405200  1
  Al  Al15  1  0.30502500  0.29340500  0.43594800  1
  Fe  Fe16  1  0.65453200  0.95252500  0.44020500  1
  Fe  Fe17  1  0.15453200  0.54747500  0.55979500  1
  Fe  Fe18  1  0.34546800  0.45252500  0.05979500  1
  Fe  Fe19  1  0.84546800  0.04747500  0.94020500  1
  Fe  Fe20  1  0.34546800  0.04747500  0.55979500  1
  Fe  Fe21  1  0.84546800  0.45252500  0.44020500  1
  Fe  Fe22  1  0.65453200  0.54747500  0.94020500  1
  Fe  Fe23  1  0.15453200  0.95252500  0.05979500  1
  Fe  Fe24  1  0.78986100  0.29413100  0.30458400  1
  Fe  Fe25  1  0.28986100  0.20586900  0.69541600  1
  Fe  Fe26  1  0.21013900  0.79413100  0.19541600  1
  Fe  Fe27  1  0.71013900  0.70586900  0.80458400  1
  Fe  Fe28  1  0.21013900  0.70586900  0.69541600  1
  Fe  Fe29  1  0.71013900  0.79413100  0.30458400  1
  Fe  Fe30  1  0.78986100  0.20586900  0.80458400  1
  Fe  Fe31  1  0.28986100  0.29413100  0.19541600  1
  N  N32  1  0.72016200  0.47533600  0.30564100  1
  N  N33  1  0.22016200  0.02466400  0.69435900  1
  N  N34  1  0.27983800  0.97533600  0.19435900  1
  N  N35  1  0.77983800  0.52466400  0.80564100  1
  N  N36  1  0.27983800  0.52466400  0.69435900  1
  N  N37  1  0.77983800  0.97533600  0.30564100  1
  N  N38  1  0.72016200  0.02466400  0.80564100  1
  N  N39  1  0.22016200  0.47533600  0.19435900  1
  N  N40  1  0.67543500  0.29118400  0.44560600  1
  N  N41  1  0.17543500  0.20881600  0.55439400  1
  N  N42  1  0.32456500  0.79118400  0.05439400  1
  N  N43  1  0.82456500  0.70881600  0.94560600  1
  N  N44  1  0.32456500  0.70881600  0.55439400  1
  N  N45  1  0.82456500  0.79118400  0.44560600  1
  N  N46  1  0.67543500  0.20881600  0.94560600  1
  N  N47  1  0.17543500  0.29118400  0.05439400  1
  N  N48  1  0.70971400  0.46767000  0.06765500  1
  N  N49  1  0.20971400  0.03233000  0.93234500  1
  N  N50  1  0.29028600  0.96767000  0.43234500  1
  N  N51  1  0.79028600  0.53233000  0.56765500  1
  N  N52  1  0.29028600  0.53233000  0.93234500  1
  N  N53  1  0.79028600  0.96767000  0.06765500  1
  N  N54  1  0.70971400  0.03233000  0.56765500  1
  N  N55  1  0.20971400  0.46767000  0.43234500  1
  N  N56  1  0.64314900  0.21769700  0.18179300  1
  N  N57  1  0.14314900  0.28230300  0.81820700  1
  N  N58  1  0.35685100  0.71769700  0.31820700  1
  N  N59  1  0.85685100  0.78230300  0.68179300  1
  N  N60  1  0.35685100  0.78230300  0.81820700  1
  N  N61  1  0.85685100  0.71769700  0.18179300  1
  N  N62  1  0.64314900  0.28230300  0.68179300  1
  N  N63  1  0.14314900  0.21769700  0.31820700  1
