data_[Li3Fe2N3]
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 [Pm]
_cell_length_a [7.0168]
_cell_length_b [3.4986]
_cell_length_c [18.1517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Li3Fe2N3]
_chemical_formula_sum '[Li3 Fe2 N3]'
_cell_volume [445.6094]
_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
[
  Li  Li0  1  0.0472  0.5000  0.4875  1
  Li  Li1  1  0.5791  0.5000  0.5923  1
  Li  Li2  1  0.5909  0.5000  0.4187  1
  Fe  Fe3  1  0.4124  0.0000  0.5032  1
  Fe  Fe4  1  0.7394  0.0000  0.5086  1
  N  N5  1  0.3135  0.5000  0.4537  1
  N  N6  1  0.3451  0.5000  0.5280  1
  N  N7  1  0.7690  0.5000  0.5080  1
]