# generated using pymatgen
data_Hf4ScH8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74089788
_cell_length_b   5.74240383
_cell_length_c   5.73776444
_cell_angle_alpha   99.36404898
_cell_angle_beta   99.36056300
_cell_angle_gamma   132.32723652
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf4ScH8
_chemical_formula_sum   'Hf4 Sc1 H8'
_cell_volume   128.01344100
_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  0.40788496  0.81147220  0.21942121  1.0
  Hf  Hf1  1  0.81163235  0.59216958  0.40364313  1.0
  Hf  Hf2  1  0.18836865  0.40783142  0.59635787  1.0
  Hf  Hf3  1  0.59211604  0.18852880  0.78057979  1.0
  Sc  Sc4  1  0.00000000  0.00000000  0.00000000  1.0
  H  H5  1  0.45561973  0.15119819  0.09803443  1.0
  H  H6  1  0.94695712  0.64244026  0.09762929  1.0
  H  H7  1  0.35734809  0.45510688  0.30411373  1.0
  H  H8  1  0.84933160  0.94726087  0.30470341  1.0
  H  H9  1  0.15066940  0.05273913  0.69529759  1.0
  H  H10  1  0.64265291  0.54489312  0.69588727  1.0
  H  H11  1  0.05304288  0.35756074  0.90237071  1.0
  H  H12  1  0.54438027  0.84880281  0.90196557  1.0