# generated using pymatgen
data_Ba3FeN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.12248516
_cell_length_b   8.12253729
_cell_length_c   5.61160968
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00443700
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3FeN3
_chemical_formula_sum   'Ba6 Fe2 N6'
_cell_volume   320.61165701
_cell_formula_units_Z   2
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
  Ba  Ba0  1  0.72261599  0.63790257  0.75000000  1.0
  Ba  Ba1  1  0.08407973  0.72164799  0.25000000  1.0
  Ba  Ba2  1  0.63755582  0.91590574  0.25000000  1.0
  Ba  Ba3  1  0.36209667  0.08471689  0.75000000  1.0
  Ba  Ba4  1  0.91528796  0.27737955  0.75000000  1.0
  Ba  Ba5  1  0.27834971  0.36243198  0.25000000  1.0
  Fe  Fe6  1  0.66662698  0.33330013  0.25000000  1.0
  Fe  Fe7  1  0.33339600  0.66671617  0.75000000  1.0
  N  N8  1  0.55225623  0.87029420  0.75000000  1.0
  N  N9  1  0.68312611  0.55384251  0.25000000  1.0
  N  N10  1  0.87070413  0.31685267  0.25000000  1.0
  N  N11  1  0.12971881  0.68196533  0.75000000  1.0
  N  N12  1  0.31805408  0.44776232  0.75000000  1.0
  N  N13  1  0.44613177  0.12928195  0.25000000  1.0