data_[Zn6N4]
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 [P2_1/m]
_cell_length_a [20.1724]
_cell_length_b [3.5903]
_cell_length_c [20.1724]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Zn3N2]
_chemical_formula_sum '[Zn6 N4]'
_cell_volume [1265.2640]
_cell_formula_units_Z [2]
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  0.0212  0.2500  0.5555  1
  Zn  Zn1  2  0.0740  0.2500  0.4029  1
  Zn  Zn2  2  0.1524  0.7500  0.3564  1
  N  N3  2  0.0077  0.2500  0.4407  1
  N  N4  2  0.1399  0.2500  0.3640  1
]