# generated using pymatgen
data_Ta6VH16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27169812
_cell_length_b   6.27169844
_cell_length_c   6.27169783
_cell_angle_alpha   60.00000324
_cell_angle_beta   60.00000156
_cell_angle_gamma   60.00000573
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta6VH16
_chemical_formula_sum   'Ta6 V1 H16'
_cell_volume   174.43775018
_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
  Ta  Ta0  1  0.00000000  0.00000000  0.50000000  1.0
  Ta  Ta1  1  0.50000000  0.00000000  0.50000000  1.0
  Ta  Ta2  1  0.00000000  0.50000000  0.50000000  1.0
  Ta  Ta3  1  0.50000000  0.50000000  0.00000000  1.0
  Ta  Ta4  1  0.00000000  0.50000000  0.00000000  1.0
  Ta  Ta5  1  0.50000000  0.00000000  0.00000000  1.0
  V  V6  1  0.00000000  0.00000000  0.00000000  1.0
  H  H7  1  0.87918875  0.87918875  0.36243274  1.0
  H  H8  1  0.87918875  0.36243274  0.87918875  1.0
  H  H9  1  0.36243274  0.87918875  0.87918875  1.0
  H  H10  1  0.87918875  0.87918875  0.87918875  1.0
  H  H11  1  0.12081125  0.12081125  0.63756726  1.0
  H  H12  1  0.12081125  0.63756726  0.12081125  1.0
  H  H13  1  0.63756726  0.12081125  0.12081125  1.0
  H  H14  1  0.12081125  0.12081125  0.12081125  1.0
  H  H15  1  0.61991814  0.61991814  0.14024557  1.0
  H  H16  1  0.61991814  0.14024557  0.61991814  1.0
  H  H17  1  0.14024557  0.61991814  0.61991814  1.0
  H  H18  1  0.61991814  0.61991814  0.61991814  1.0
  H  H19  1  0.38008186  0.38008186  0.85975443  1.0
  H  H20  1  0.38008186  0.85975443  0.38008186  1.0
  H  H21  1  0.85975443  0.38008186  0.38008186  1.0
  H  H22  1  0.38008186  0.38008186  0.38008186  1.0