# generated using pymatgen
data_Hf2Ta4TiH16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.40264618
_cell_length_b   6.31607498
_cell_length_c   6.40264542
_cell_angle_alpha   60.44626892
_cell_angle_beta   59.10745086
_cell_angle_gamma   60.44625946
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2Ta4TiH16
_chemical_formula_sum   'Hf2 Ta4 Ti1 H16'
_cell_volume   183.01827426
_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  0.50000000  0.00000000  0.50000000  1.0
  Hf  Hf1  1  0.00000000  0.50000000  0.00000000  1.0
  Ta  Ta2  1  0.00000000  0.00000000  0.50000000  1.0
  Ta  Ta3  1  0.00000000  0.50000000  0.50000000  1.0
  Ta  Ta4  1  0.50000000  0.50000000  0.00000000  1.0
  Ta  Ta5  1  0.50000000  0.00000000  0.00000000  1.0
  Ti  Ti6  1  0.00000000  0.00000000  0.00000000  1.0
  H  H7  1  0.88536212  0.87341710  0.36780268  1.0
  H  H8  1  0.87341710  0.36780268  0.87341710  1.0
  H  H9  1  0.36780268  0.87341710  0.88536212  1.0
  H  H10  1  0.87341710  0.88536212  0.87341710  1.0
  H  H11  1  0.11463788  0.12658290  0.63219732  1.0
  H  H12  1  0.12658290  0.63219732  0.12658290  1.0
  H  H13  1  0.63219732  0.12658290  0.11463788  1.0
  H  H14  1  0.12658290  0.11463788  0.12658290  1.0
  H  H15  1  0.61085264  0.62751007  0.13412722  1.0
  H  H16  1  0.62751007  0.13412722  0.62751007  1.0
  H  H17  1  0.13412722  0.62751007  0.61085264  1.0
  H  H18  1  0.62751007  0.61085264  0.62751007  1.0
  H  H19  1  0.38914736  0.37248993  0.86587278  1.0
  H  H20  1  0.37248993  0.86587278  0.37248993  1.0
  H  H21  1  0.86587278  0.37248993  0.38914736  1.0
  H  H22  1  0.37248993  0.38914736  0.37248993  1.0