data_[Zn4Fe12N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Fe  1.8300  1.4000  0.8525
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.3601]
_cell_length_b [5.2945]
_cell_length_c [4.7345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9465]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZnFe3N]
_chemical_formula_sum '[Zn4 Fe12 N4]'
_cell_volume [219.1258]
_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
[
  Zn  Zn0  2  0.2024  0.0000  0.9836  1.0
  Zn  Zn1  2  0.4438  0.0000  0.5096  1.0
  Fe  Fe2  4  0.1908  0.2527  0.5000  1.0
  Fe  Fe3  4  0.4497  0.2412  0.0073  1.0
  Fe  Fe4  2  0.1908  0.5000  0.0041  1.0
  Fe  Fe5  2  0.4272  0.5000  0.4886  1.0
  N  N6  2  0.0614  0.0000  0.2778  1.0
  N  N7  2  0.3162  0.5000  0.7557  1.0
]