# generated using pymatgen
data_Hf2AlH
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48936202
_cell_length_b   5.48936085
_cell_length_c   5.48936170
_cell_angle_alpha   104.13525039
_cell_angle_beta   104.13524875
_cell_angle_gamma   120.76891400
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2AlH
_chemical_formula_sum   'Hf4 Al2 H2'
_cell_volume   123.56027133
_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  0.15938413  0.65938413  0.81876925  1.0
  Hf  Hf1  1  0.84061587  0.34061587  0.18123075  1.0
  Hf  Hf2  1  0.34061587  0.15938413  0.50000000  1.0
  Hf  Hf3  1  0.65938413  0.84061587  0.50000000  1.0
  Al  Al4  1  0.25000000  0.25000000  0.00000000  1.0
  Al  Al5  1  0.75000000  0.75000000  0.00000000  1.0
  H  H6  1  0.75000000  0.25000000  0.50000000  1.0
  H  H7  1  0.25000000  0.75000000  0.50000000  1.0