# generated using pymatgen
data_Ta6CrH16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27084320
_cell_length_b   6.27084326
_cell_length_c   6.27084238
_cell_angle_alpha   59.99999934
_cell_angle_beta   59.99999907
_cell_angle_gamma   60.00000269
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta6CrH16
_chemical_formula_sum   'Ta6 Cr1 H16'
_cell_volume   174.36639066
_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
  Cr  Cr6  1  0.00000000  0.00000000  0.00000000  1.0
  H  H7  1  0.87881949  0.87881949  0.36354054  1.0
  H  H8  1  0.87881949  0.36354054  0.87881949  1.0
  H  H9  1  0.36354054  0.87881949  0.87881949  1.0
  H  H10  1  0.87881949  0.87881949  0.87881949  1.0
  H  H11  1  0.12118051  0.12118051  0.63645946  1.0
  H  H12  1  0.12118051  0.63645946  0.12118051  1.0
  H  H13  1  0.63645946  0.12118051  0.12118051  1.0
  H  H14  1  0.12118051  0.12118051  0.12118051  1.0
  H  H15  1  0.61970852  0.61970852  0.14087545  1.0
  H  H16  1  0.61970852  0.14087545  0.61970852  1.0
  H  H17  1  0.14087545  0.61970852  0.61970852  1.0
  H  H18  1  0.61970852  0.61970852  0.61970852  1.0
  H  H19  1  0.38029148  0.38029148  0.85912455  1.0
  H  H20  1  0.38029148  0.85912455  0.38029148  1.0
  H  H21  1  0.85912455  0.38029148  0.38029148  1.0
  H  H22  1  0.38029148  0.38029148  0.38029148  1.0