# generated using pymatgen
data_Ti8Al14SiIr7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.59355634
_cell_length_b   8.59355701
_cell_length_c   8.59355634
_cell_angle_alpha   120.06505151
_cell_angle_beta   119.88491608
_cell_angle_gamma   90.04340832
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti8Al14SiIr7
_chemical_formula_sum   'Ti8 Al14 Si1 Ir7'
_cell_volume   448.91748433
_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  0.79879407  0.29692422  0.08889597  1.0
  Ti  Ti1  1  0.20802925  0.29692422  0.49813015  1.0
  Ti  Ti2  1  0.20112738  0.70112738  0.50000000  1.0
  Ti  Ti3  1  0.20802925  0.70990010  0.91110403  1.0
  Ti  Ti4  1  0.79879407  0.70990010  0.50186985  1.0
  Ti  Ti5  1  0.79085157  0.29085157  0.50000000  1.0
  Ti  Ti6  1  0.37963096  0.12287357  0.74324261  1.0
  Ti  Ti7  1  0.37963096  0.63638835  0.25675739  1.0
  Al  Al8  1  0.15775940  0.33920380  0.18144340  1.0
  Al  Al9  1  0.15775940  0.97631500  0.81855660  1.0
  Al  Al10  1  0.15262329  0.34281023  0.80981306  1.0
  Al  Al11  1  0.53299617  0.34281023  0.19018694  1.0
  Al  Al12  1  0.84139010  0.65649574  0.81510665  1.0
  Al  Al13  1  0.84139010  0.02628345  0.18489335  1.0
  Al  Al14  1  0.83927128  0.65842721  0.18084407  1.0
  Al  Al15  1  0.47758114  0.65842721  0.81915593  1.0
  Al  Al16  1  0.38013014  0.12049495  0.25963518  1.0
  Al  Al17  1  0.86086077  0.12049495  0.74036482  1.0
  Al  Al18  1  0.62123043  0.87971614  0.25848571  1.0
  Al  Al19  1  0.62123043  0.36274372  0.74151429  1.0
  Al  Al20  1  0.62231027  0.87907849  0.74323077  1.0
  Al  Al21  1  0.13584672  0.87907849  0.25676923  1.0
  Si  Si22  1  0.99664618  0.49664618  0.50000000  1.0
  Ir  Ir23  1  0.00228343  0.99966335  0.50173093  1.0
  Ir  Ir24  1  0.49793243  0.99966335  0.99737992  1.0
  Ir  Ir25  1  0.49731367  0.49731367  1.00000000  1.0
  Ir  Ir26  1  0.49793243  0.50055151  0.49826907  1.0
  Ir  Ir27  1  0.00228343  0.50055151  0.00262008  1.0
  Ir  Ir28  1  0.99975436  0.99975436  0.00000000  1.0
  Ir  Ir29  1  0.49858495  0.99858495  0.50000000  1.0