data_[Al6N4O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.1327]
_cell_length_b [9.4026]
_cell_length_c [4.4072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Al3N2O]
_chemical_formula_sum '[Al6 N4 O2]'
_cell_volume [129.8152]
_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
[
  Al  Al0  4  0.0000  0.3265  0.9976  1
  Al  Al1  2  0.0000  0.0000  0.0054  1
  N  N2  4  0.0000  0.1628  0.2531  1
  O  O3  2  0.0000  0.5000  0.2502  1
]