# generated using pymatgen
data_HfTi2AlN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61780866
_cell_length_b   5.61780887
_cell_length_c   8.72758495
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   147.67065297
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTi2AlN
_chemical_formula_sum   'Hf2 Ti4 Al2 N2'
_cell_volume   147.30157381
_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  0.96101190  0.03898810  0.25000000  1.0
  Hf  Hf1  1  0.03898810  0.96101190  0.75000000  1.0
  Ti  Ti2  1  0.62662271  0.37337729  0.46726133  1.0
  Ti  Ti3  1  0.37337729  0.62662271  0.53273867  1.0
  Ti  Ti4  1  0.62662271  0.37337729  0.03273867  1.0
  Ti  Ti5  1  0.37337729  0.62662271  0.96726133  1.0
  Al  Al6  1  0.24426697  0.75573303  0.25000000  1.0
  Al  Al7  1  0.75573303  0.24426697  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