data_[Zn12Ga8N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pnna]
_cell_length_a [5.3506]
_cell_length_b [10.8391]
_cell_length_c [8.0240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [52]
_chemical_formula_structural [Zn3(GaN2)2]
_chemical_formula_sum '[Zn12 Ga8 N16]'
_cell_volume [465.3584]
_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  0.2264  0.1463  0.6245  1
  Zn  Zn1  4  0.2500  0.0000  0.9449  1
  Ga  Ga2  4  0.2222  0.7500  0.2500  1
  Ga  Ga3  4  0.2500  0.0000  0.2985  1
  N  N4  8  0.0040  0.6041  0.3283  1
  N  N5  8  0.0892  0.1435  0.3954  1
]