data_[Al8Ga4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.5725]
_cell_length_b [3.1564]
_cell_length_c [7.4758]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8474]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Al2GaN3]
_chemical_formula_sum '[Al8 Ga4 N12]'
_cell_volume [263.9522]
_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
[
  Al  Al0  2  0.0539  0.5000  0.1133  1.0
  Al  Al1  2  0.2231  0.0000  0.4444  1.0
  Al  Al2  2  0.3889  0.5000  0.7766  1.0
  Al  Al3  2  0.4442  0.5000  0.3894  1.0
  Ga  Ga4  2  0.1096  0.5000  0.7216  1.0
  Ga  Ga5  2  0.2772  0.0000  0.0577  1.0
  N  N6  2  0.0953  0.0000  0.5638  1.0
  N  N7  2  0.1473  0.0000  0.1852  1.0
  N  N8  2  0.2647  0.5000  0.9013  1.0
  N  N9  2  0.3184  0.5000  0.5150  1.0
  N  N10  2  0.4314  0.0000  0.2436  1.0
  N  N11  2  0.4814  0.0000  0.8528  1.0
]