# generated using pymatgen
data_Ti6Al16Ir7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.54101272
_cell_length_b   8.54098343
_cell_length_c   8.54100980
_cell_angle_alpha   60.00023684
_cell_angle_beta   60.00009155
_cell_angle_gamma   60.00001690
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti6Al16Ir7
_chemical_formula_sum   'Ti6 Al16 Ir7'
_cell_volume   440.56764923
_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
  Ti  Ti0  1  0.67703409  0.67702899  0.32296348  1.0
  Ti  Ti1  1  0.32295832  0.67703904  0.32295115  1.0
  Ti  Ti2  1  0.67702907  0.32296825  0.32296621  1.0
  Ti  Ti3  1  0.32297134  0.32296532  0.67702653  1.0
  Ti  Ti4  1  0.67704779  0.32295046  0.67704323  1.0
  Ti  Ti5  1  0.32296306  0.67703443  0.67703644  1.0
  Al  Al6  1  0.87972739  0.87973237  0.36081797  1.0
  Al  Al7  1  0.87972650  0.36081752  0.87973273  1.0
  Al  Al8  1  0.36081858  0.87972923  0.87973056  1.0
  Al  Al9  1  0.87972428  0.87972919  0.87972880  1.0
  Al  Al10  1  0.12027240  0.12027713  0.63918146  1.0
  Al  Al11  1  0.12027287  0.63918185  0.12027735  1.0
  Al  Al12  1  0.63918288  0.12027592  0.12027517  1.0
  Al  Al13  1  0.12026884  0.12027408  0.12027504  1.0
  Al  Al14  1  0.65840964  0.65839836  0.02478008  1.0
  Al  Al15  1  0.65840615  0.02477226  0.65840325  1.0
  Al  Al16  1  0.02476908  0.65840070  0.65840849  1.0
  Al  Al17  1  0.65841840  0.65840709  0.65840540  1.0
  Al  Al18  1  0.34158886  0.34158394  0.97522781  1.0
  Al  Al19  1  0.34159287  0.97523646  0.34157751  1.0
  Al  Al20  1  0.97522481  0.34159276  0.34158342  1.0
  Al  Al21  1  0.34159842  0.34159059  0.34159057  1.0
  Ir  Ir22  1  -0.00000402  0.00000186  0.00000212  1.0
  Ir  Ir23  1  0.00001109  -0.00000856  0.50000856  1.0
  Ir  Ir24  1  0.49999569  -0.00001107  0.50000588  1.0
  Ir  Ir25  1  -0.00000918  0.50000861  0.50000848  1.0
  Ir  Ir26  1  0.49999604  0.50000659  -0.00001043  1.0
  Ir  Ir27  1  0.00000915  0.50000975  -0.00000750  1.0
  Ir  Ir28  1  0.49999659  0.00000689  0.00001023  1.0