# generated using pymatgen
data_Zr2Ta4TiH16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44958471
_cell_length_b   6.33941690
_cell_length_c   6.44958404
_cell_angle_alpha   60.56345307
_cell_angle_beta   58.87309047
_cell_angle_gamma   60.56344790
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ta4TiH16
_chemical_formula_sum   'Zr2 Ta4 Ti1 H16'
_cell_volume   186.35818996
_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
  Zr  Zr0  1  0.50000000  0.00000000  0.50000000  1.0
  Zr  Zr1  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  0.89025565  0.87156527  0.36661381  1.0
  H  H8  1  0.87156527  0.36661381  0.87156527  1.0
  H  H9  1  0.36661381  0.87156527  0.89025565  1.0
  H  H10  1  0.87156527  0.89025565  0.87156527  1.0
  H  H11  1  0.10974435  0.12843473  0.63338619  1.0
  H  H12  1  0.12843473  0.63338619  0.12843473  1.0
  H  H13  1  0.63338619  0.12843473  0.10974435  1.0
  H  H14  1  0.12843473  0.10974435  0.12843473  1.0
  H  H15  1  0.60544198  0.63038105  0.13379792  1.0
  H  H16  1  0.63038105  0.13379792  0.63038105  1.0
  H  H17  1  0.13379792  0.63038105  0.60544198  1.0
  H  H18  1  0.63038105  0.60544198  0.63038105  1.0
  H  H19  1  0.39455802  0.36961895  0.86620208  1.0
  H  H20  1  0.36961895  0.86620208  0.36961895  1.0
  H  H21  1  0.86620208  0.36961895  0.39455802  1.0
  H  H22  1  0.36961895  0.39455802  0.36961895  1.0