# generated using pymatgen
data_Hf3ScSe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44198028
_cell_length_b   6.44198069
_cell_length_c   13.37427305
_cell_angle_alpha   76.09029525
_cell_angle_beta   76.09029680
_cell_angle_gamma   59.97099707
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3ScSe6
_chemical_formula_sum   'Hf6 Sc2 Se12'
_cell_volume   461.64346198
_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  0.16659727  0.00041999  0.49982297  1.0
  Hf  Hf1  1  0.83286443  0.66914553  0.49664874  1.0
  Hf  Hf2  1  0.50260441  0.33455163  0.49654770  1.0
  Hf  Hf3  1  0.33455163  0.50260441  0.99654770  1.0
  Hf  Hf4  1  0.00041999  0.16659727  0.99982297  1.0
  Hf  Hf5  1  0.66914553  0.83286443  0.99664874  1.0
  Sc  Sc6  1  0.25451127  0.08743284  0.23454233  1.0
  Sc  Sc7  1  0.08743284  0.25451127  0.73454233  1.0
  Se  Se8  1  0.37602733  0.20872478  0.87306324  1.0
  Se  Se9  1  0.71010702  0.54252622  0.87158903  1.0
  Se  Se10  1  0.04294598  0.87654960  0.87173350  1.0
  Se  Se11  1  0.54252622  0.71010702  0.37158903  1.0
  Se  Se12  1  0.87654960  0.04294598  0.37173350  1.0
  Se  Se13  1  0.20872478  0.37602733  0.37306324  1.0
  Se  Se14  1  0.29502080  0.78117501  0.12378048  1.0
  Se  Se15  1  0.63237966  0.12573103  0.12312988  1.0
  Se  Se16  1  0.95133762  0.46889558  0.12362413  1.0
  Se  Se17  1  0.12573103  0.63237966  0.62312988  1.0
  Se  Se18  1  0.46889558  0.95133762  0.62362413  1.0
  Se  Se19  1  0.78117501  0.29502080  0.62378048  1.0