# generated using pymatgen
data_Hf3SiN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74358845
_cell_length_b   5.74358851
_cell_length_c   8.45665100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   145.68838447
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3SiN
_chemical_formula_sum   'Hf6 Si2 N2'
_cell_volume   157.25630793
_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  0.63284629  0.36715371  0.44625096  1.0
  Hf  Hf1  1  0.36715371  0.63284629  0.55374904  1.0
  Hf  Hf2  1  0.63284629  0.36715371  0.05374904  1.0
  Hf  Hf3  1  0.36715371  0.63284629  0.94625096  1.0
  Hf  Hf4  1  0.94239541  0.05760459  0.25000000  1.0
  Hf  Hf5  1  0.05760459  0.94239541  0.75000000  1.0
  Si  Si6  1  0.25470550  0.74529450  0.25000000  1.0
  Si  Si7  1  0.74529450  0.25470550  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