data_[Ba2Fe4As2N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Fe  1.8300  1.4000  0.8525
  As  2.1800  1.1500  0.6600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.4607]
_cell_length_b [4.8496]
_cell_length_c [7.3956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3472]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaFe2AsN2]
_chemical_formula_sum '[Ba2 Fe4 As2 N4]'
_cell_volume [215.8200]
_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  2  0.3190  0.7500  0.6505  1.0
  Fe  Fe1  4  0.1399  0.0002  0.1894  1.0
  As  As2  2  0.1963  0.2500  0.9360  1.0
  N  N3  2  0.1202  0.2500  0.3529  1.0
  N  N4  2  0.3473  0.7500  0.2759  1.0
]