# generated using pymatgen
data_Hf(ScH3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33657932
_cell_length_b   5.82209198
_cell_length_c   8.22450571
_cell_angle_alpha   118.47262877
_cell_angle_beta   90.00893750
_cell_angle_gamma   124.89459131
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf(ScH3)3
_chemical_formula_sum   'Hf1 Sc3 H9'
_cell_volume   106.62329040
_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  0.82511073  0.94876624  0.19456443  1.0
  Sc  Sc1  1  0.07774209  0.70166617  0.44777729  1.0
  Sc  Sc2  1  0.32210774  0.44605564  0.69456226  1.0
  Sc  Sc3  1  0.57196357  0.19541591  0.94146369  1.0
  H  H4  1  0.58989988  0.21360159  0.69448120  1.0
  H  H5  1  0.05977956  0.68409287  0.69469791  1.0
  H  H6  1  0.57019497  0.19390342  0.19464195  1.0
  H  H7  1  0.34219951  0.46595845  0.95408730  1.0
  H  H8  1  0.30817188  0.43179819  0.43612490  1.0
  H  H9  1  0.82959349  0.95388662  0.69437110  1.0
  H  H10  1  0.08001572  0.70358105  0.19456675  1.0
  H  H11  1  0.82258765  0.94688040  0.43497791  1.0
  H  H12  1  0.82566920  0.94879948  0.95303929  1.0