data_[Zn12N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3291]
_cell_length_b [3.3293]
_cell_length_c [6.3747]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9680]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn3N2]
_chemical_formula_sum '[Zn12 N8]'
_cell_volume [254.9891]
_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  4  0.0353  0.0000  0.7673  1.0
  Zn  Zn1  4  0.1503  0.5000  0.5263  1.0
  Zn  Zn2  4  0.1884  0.0000  0.1032  1.0
  N  N3  4  0.1237  0.0000  0.3605  1.0
  N  N4  4  0.1385  0.5000  0.8529  1.0
]