data_[Al2W8N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [2.8261]
_cell_length_b [2.8261]
_cell_length_c [26.6616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [AlW4N3]
_chemical_formula_sum '[Al2 W8 N6]'
_cell_volume [184.4125]
_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  2  0.3333  0.6667  0.2500  1
  W  W1  4  0.0000  0.0000  0.1660  1
  W  W2  4  0.3333  0.6667  0.0557  1
  N  N3  4  0.3333  0.6667  0.6128  1
  N  N4  2  0.0000  0.0000  0.0000  1
]