# generated using pymatgen
data_HfSc2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52234268
_cell_length_b   5.52234223
_cell_length_c   5.52234204
_cell_angle_alpha   146.45253414
_cell_angle_beta   131.97490883
_cell_angle_gamma   59.85213179
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSc2N3
_chemical_formula_sum   'Hf1 Sc2 N3'
_cell_volume   68.56399416
_cell_formula_units_Z   1
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  0.00000000  0.00000000  0.00000000  1.0
  Sc  Sc1  1  0.66769865  0.66769865  1.00000000  1.0
  Sc  Sc2  1  0.33230135  0.33230135  0.00000000  1.0
  N  N3  1  0.83782317  0.33782317  0.50000000  1.0
  N  N4  1  0.50000000  0.00000000  0.50000000  1.0
  N  N5  1  0.16217683  0.66217683  0.50000000  1.0