# generated using pymatgen
data_AlN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12858814
_cell_length_b   3.12858814
_cell_length_c   5.01695500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlN
_chemical_formula_sum   'Al2 N2'
_cell_volume   42.52728185
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_type_symbol
 _atom_type_oxidation_number
  Al3+  3.0
  N3-  -3.0
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
  Al3+  Al0  1  0.66666667  0.33333333  0.49928700  1
  Al3+  Al1  1  0.33333333  0.66666667  0.99928700  1
  N3-  N2  1  0.66666667  0.33333333  0.88071300  1
  N3-  N3  1  0.33333333  0.66666667  0.38071300  1