# generated using pymatgen
data_Ti8Al12Si3Ir7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.55852524
_cell_length_b   8.55852426
_cell_length_c   8.55852504
_cell_angle_alpha   119.78486719
_cell_angle_beta   120.08006763
_cell_angle_gamma   90.11720124
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti8Al12Si3Ir7
_chemical_formula_sum   'Ti8 Al12 Si3 Ir7'
_cell_volume   443.73148667
_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  0.80468004  0.29754568  0.09169215  1.0
  Ti  Ti1  1  0.20585253  0.29754568  0.49286565  1.0
  Ti  Ti2  1  0.19698497  0.69698497  0.50000000  1.0
  Ti  Ti3  1  0.20585253  0.71298788  0.90830785  1.0
  Ti  Ti4  1  0.80468004  0.71298788  0.50713435  1.0
  Ti  Ti5  1  0.78723756  0.28723756  0.50000000  1.0
  Ti  Ti6  1  0.37907610  0.12403384  0.74495775  1.0
  Ti  Ti7  1  0.37907610  0.63411935  0.25504225  1.0
  Al  Al8  1  0.15134524  0.34666259  0.80468265  1.0
  Al  Al9  1  0.54197894  0.34666259  0.19531735  1.0
  Al  Al10  1  0.83905753  0.65968483  0.82062831  1.0
  Al  Al11  1  0.83905753  0.01842922  0.17937169  1.0
  Al  Al12  1  0.83645512  0.66095458  0.17550054  1.0
  Al  Al13  1  0.48545405  0.66095458  0.82449946  1.0
  Al  Al14  1  0.38160638  0.12215870  0.25944868  1.0
  Al  Al15  1  0.86271003  0.12215870  0.74055132  1.0
  Al  Al16  1  0.61931391  0.87785886  0.25854495  1.0
  Al  Al17  1  0.61931391  0.36076996  0.74145505  1.0
  Al  Al18  1  0.62097238  0.87953895  0.74143343  1.0
  Al  Al19  1  0.13810452  0.87953895  0.25856657  1.0
  Si  Si20  1  0.99128688  0.49128688  0.50000000  1.0
  Si  Si21  1  0.15684173  0.34607455  0.18923182  1.0
  Si  Si22  1  0.15684173  0.96760992  0.81076818  1.0
  Ir  Ir23  1  0.00474918  0.99917761  0.50738976  1.0
  Ir  Ir24  1  0.49178885  0.99917761  0.99442842  1.0
  Ir  Ir25  1  0.49679757  0.49679757  1.00000000  1.0
  Ir  Ir26  1  0.49178885  0.49735843  0.49261024  1.0
  Ir  Ir27  1  0.00474918  0.49735843  0.00557158  1.0
  Ir  Ir28  1  0.00811904  0.00811904  0.00000000  1.0
  Ir  Ir29  1  0.49822360  0.99822360  0.50000000  1.0