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/m]
_cell_length_a [10.6560]
_cell_length_b [6.1554]
_cell_length_c [15.9404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Zn3N2]
_chemical_formula_sum '[Zn6 N4]'
_cell_volume [1045.5655]
_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  4  0.2537  0.2497  0.4972  1
  Zn  Zn1  1  0.0000  0.5000  0.5000  1
  Zn  Zn2  1  0.5000  0.0000  0.5000  1
  N  N3  2  0.1706  0.5000  0.5239  1
  N  N4  2  0.3310  0.0000  0.4704  1
]