Datasets:
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# 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
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