# generated using pymatgen
data_Hf6Ti6Si5As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.86131511
_cell_length_b   7.86476140
_cell_length_c   7.86283099
_cell_angle_alpha   127.54818664
_cell_angle_beta   124.14743171
_cell_angle_gamma   80.15957096
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf6Ti6Si5As
_chemical_formula_sum   'Hf6 Ti6 Si5 As1'
_cell_volume   307.93394748
_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  0.45062581  0.66029702  0.70601359  1.0
  Hf  Hf1  1  0.54450595  0.25142126  0.20301964  1.0
  Hf  Hf2  1  0.74877962  0.84835218  0.59551170  1.0
  Hf  Hf3  1  0.25297356  0.84854640  0.09949549  1.0
  Hf  Hf4  1  0.04865938  0.25155255  0.70692441  1.0
  Hf  Hf5  1  0.95406311  0.65996305  0.20939447  1.0
  Ti  Ti6  1  0.50022088  0.50240907  0.00217133  1.0
  Ti  Ti7  1  0.00075903  0.50016245  0.49931598  1.0
  Ti  Ti8  1  0.12369680  0.25337234  0.12904730  1.0
  Ti  Ti9  1  0.87654543  0.00839250  0.13241427  1.0
  Ti  Ti10  1  0.37541681  0.00406257  0.62777193  1.0
  Ti  Ti11  1  0.62347428  0.25115955  0.62841375  1.0
  Si  Si12  1  0.25099444  0.25367711  0.50396633  1.0
  Si  Si13  1  0.74922685  0.25302484  0.00273540  1.0
  Si  Si14  1  0.33324736  0.58639501  0.25313473  1.0
  Si  Si15  1  0.66727855  0.92034039  0.25326551  1.0
  Si  Si16  1  0.16597575  0.91945283  0.75334853  1.0
  As  As17  1  0.83355640  0.58701486  0.75365465  1.0