data_[Li4Fe4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Fe  1.8300  1.4000  0.8525
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [2.9025]
_cell_length_b [9.4229]
_cell_length_c [4.3783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [LiFeN]
_chemical_formula_sum '[Li4 Fe4 N4]'
_cell_volume [119.7441]
_cell_formula_units_Z [4]
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
[
  Li  Li0  2  0.0000  0.0000  0.4405  1.0
  Li  Li1  2  0.0000  0.5000  0.4666  1.0
  Fe  Fe2  4  0.0000  0.2380  0.1263  1.0
  N  N3  4  0.0000  0.3487  0.7926  1.0
]