data_[Zn12Fe8N16]
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 [C2/c]
_cell_length_a [8.9168]
_cell_length_b [8.4009]
_cell_length_c [5.1756]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7579]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zn3(FeN2)2]
_chemical_formula_sum '[Zn12 Fe8 N16]'
_cell_volume [387.5141]
_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  8  0.1134  0.1421  0.0781  1
  Zn  Zn1  4  0.0000  0.3838  0.7500  1
  Fe  Fe2  8  0.2185  0.3764  0.3781  1
  N  N3  8  0.0997  0.2054  0.4909  1
  N  N4  8  0.1828  0.4302  0.0311  1
]