# generated using pymatgen
data_AlFe2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.29972378
_cell_length_b   5.22661856
_cell_length_c   4.96475713
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe2N3
_chemical_formula_sum   'Al4 Fe8 N12'
_cell_volume   241.31752578
_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  0.66783400  0.00000000  0.00007400  1
  Al  Al1  1  0.33216600  0.00000000  0.50007400  1
  Al  Al2  1  0.16783400  0.50000000  0.00007400  1
  Al  Al3  1  0.83216600  0.50000000  0.50007400  1
  Fe  Fe4  1  0.66902700  0.67571500  0.98865400  1
  Fe  Fe5  1  0.16902700  0.82428500  0.98865400  1
  Fe  Fe6  1  0.83097300  0.82428500  0.48865400  1
  Fe  Fe7  1  0.33097300  0.67571500  0.48865400  1
  Fe  Fe8  1  0.16902700  0.17571500  0.98865400  1
  Fe  Fe9  1  0.66902700  0.32428500  0.98865400  1
  Fe  Fe10  1  0.33097300  0.32428500  0.48865400  1
  Fe  Fe11  1  0.83097300  0.17571500  0.48865400  1
  N  N12  1  0.66183600  0.66363300  0.35780700  1
  N  N13  1  0.16183600  0.83636700  0.35780700  1
  N  N14  1  0.83816400  0.83636700  0.85780700  1
  N  N15  1  0.33816400  0.66363300  0.85780700  1
  N  N16  1  0.67257700  0.00000000  0.37900200  1
  N  N17  1  0.32742300  0.00000000  0.87900200  1
  N  N18  1  0.16183600  0.16363300  0.35780700  1
  N  N19  1  0.66183600  0.33636700  0.35780700  1
  N  N20  1  0.33816400  0.33636700  0.85780700  1
  N  N21  1  0.83816400  0.16363300  0.85780700  1
  N  N22  1  0.17257700  0.50000000  0.37900200  1
  N  N23  1  0.82742300  0.50000000  0.87900200  1
