data_[Na6Fe2N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Fe  1.8300  1.4000  0.8525
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [19.4691]
_cell_length_b [4.6776]
_cell_length_c [10.2447]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Na3FeN2]
_chemical_formula_sum '[Na6 Fe2 N4]'
_cell_volume [932.9827]
_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
[
  Na  Na0  4  0.3852  0.0000  0.6746  1
  Na  Na1  2  0.5000  0.0000  0.9911  1
  Fe  Fe2  2  0.5000  0.0000  0.2643  1
  N  N3  4  0.5000  0.1329  0.7617  1
]