# generated using pymatgen
data_Hf3AlN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89813400
_cell_length_b   5.89813400
_cell_length_c   8.83856158
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   147.47868919
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3AlN
_chemical_formula_sum   'Hf6 Al2 N2'
_cell_volume   165.30303928
_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
  Hf  Hf0  1  0.62821771  0.37178229  0.45804343  1.0
  Hf  Hf1  1  0.37178229  0.62821771  0.54195657  1.0
  Hf  Hf2  1  0.62821771  0.37178229  0.04195657  1.0
  Hf  Hf3  1  0.37178229  0.62821771  0.95804343  1.0
  Hf  Hf4  1  0.95677956  0.04322044  0.25000000  1.0
  Hf  Hf5  1  0.04322044  0.95677956  0.75000000  1.0
  Al  Al6  1  0.25291433  0.74708567  0.25000000  1.0
  Al  Al7  1  0.74708567  0.25291433  0.75000000  1.0
  N  N8  1  0.00000000  -0.00000000  0.50000000  1.0
  N  N9  1  0.00000000  -0.00000000  -0.00000000  1.0