# generated using pymatgen
data_Ba(FeN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38476229
_cell_length_b   6.08600831
_cell_length_c   9.43301402
_cell_angle_alpha   89.99999545
_cell_angle_beta   42.37809272
_cell_angle_gamma   61.53615224
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(FeN)2
_chemical_formula_sum   'Ba2 Fe4 N4'
_cell_volume   174.69703686
_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  0.00000000  0.00000000  0.25000000  1.0
  Ba  Ba1  1  0.00000000  0.00000000  0.75000000  1.0
  Fe  Fe2  1  0.73120700  0.50000000  0.63439700  1.0
  Fe  Fe3  1  0.26879300  0.50000000  0.36560300  1.0
  Fe  Fe4  1  0.26879300  0.23120700  0.86560300  1.0
  Fe  Fe5  1  0.73120700  0.76879300  0.13439700  1.0
  N  N6  1  0.68115200  0.50000000  0.15942400  1.0
  N  N7  1  0.31884800  0.50000000  0.84057600  1.0
  N  N8  1  0.31884800  0.18115200  0.34057600  1.0
  N  N9  1  0.68115200  0.81884800  0.65942400  1.0