# generated using pymatgen
data_Al2FeN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.51151036
_cell_length_b   5.49608719
_cell_length_c   5.08971558
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2FeN3
_chemical_formula_sum   'Al8 Fe4 N12'
_cell_volume   266.07043099
_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
  Al  Al0  1  0.83555500  0.16791900  0.50785200  1
  Al  Al1  1  0.83555500  0.83208100  0.50785200  1
  Al  Al2  1  0.16444500  0.83208100  0.00785200  1
  Al  Al3  1  0.16444500  0.16791900  0.00785200  1
  Al  Al4  1  0.33555500  0.66791900  0.50785200  1
  Al  Al5  1  0.33555500  0.33208100  0.50785200  1
  Al  Al6  1  0.66444500  0.33208100  0.00785200  1
  Al  Al7  1  0.66444500  0.66791900  0.00785200  1
  Fe  Fe8  1  0.83058700  0.50000000  0.51309700  1
  Fe  Fe9  1  0.16941300  0.50000000  0.01309700  1
  Fe  Fe10  1  0.33058700  0.00000000  0.51309700  1
  Fe  Fe11  1  0.66941300  0.00000000  0.01309700  1
  N  N12  1  0.83871700  0.17286500  0.13289500  1
  N  N13  1  0.83871700  0.82713500  0.13289500  1
  N  N14  1  0.16128300  0.82713500  0.63289500  1
  N  N15  1  0.16128300  0.17286500  0.63289500  1
  N  N16  1  0.81881200  0.50000000  0.11741000  1
  N  N17  1  0.18118800  0.50000000  0.61741000  1
  N  N18  1  0.33871700  0.67286500  0.13289500  1
  N  N19  1  0.33871700  0.32713500  0.13289500  1
  N  N20  1  0.66128300  0.32713500  0.63289500  1
  N  N21  1  0.66128300  0.67286500  0.63289500  1
  N  N22  1  0.31881200  0.00000000  0.11741000  1
  N  N23  1  0.68118800  0.00000000  0.61741000  1
