# generated using pymatgen
data_Hf3BeN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71738318
_cell_length_b   5.71738319
_cell_length_c   8.51948146
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   146.65273077
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3BeN
_chemical_formula_sum   'Hf6 Be2 N2'
_cell_volume   153.08869401
_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  0.63136597  0.36863403  0.94554585  1.0
  Hf  Hf1  1  0.36863403  0.63136597  0.44554585  1.0
  Hf  Hf2  1  0.36863403  0.63136597  0.05445415  1.0
  Hf  Hf3  1  0.63136597  0.36863403  0.55445415  1.0
  Hf  Hf4  1  0.93946244  0.06053756  0.75000000  1.0
  Hf  Hf5  1  0.06053756  0.93946244  0.25000000  1.0
  Be  Be6  1  0.25610276  0.74389724  0.75000000  1.0
  Be  Be7  1  0.74389724  0.25610276  0.25000000  1.0
  N  N8  1  0.00000000  0.00000000  0.00000000  1.0
  N  N9  1  0.00000000  0.00000000  0.50000000  1.0