# generated using pymatgen
data_Ba(FeN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35811100
_cell_length_b   3.35851165
_cell_length_c   6.70729700
_cell_angle_alpha   89.99890564
_cell_angle_beta   89.99998240
_cell_angle_gamma   120.00028712
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(FeN)2
_chemical_formula_sum   'Ba1 Fe2 N2'
_cell_volume   65.51169248
_cell_formula_units_Z   1
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  0.00000100  0.00000000  0.49987100  1.0
  Fe  Fe1  1  0.66664400  0.33328700  0.10513700  1.0
  Fe  Fe2  1  0.33335600  0.66671700  0.89492100  1.0
  N  N3  1  0.66667700  0.33332500  0.82574600  1.0
  N  N4  1  0.33332200  0.66667200  0.17432500  1.0