# generated using pymatgen
data_SrTh3(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.61280806
_cell_length_b   7.62283243
_cell_length_c   9.53248652
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.39469348
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTh3(Al3Ir)6
_chemical_formula_sum   'Sr1 Th3 Al18 Ir6'
_cell_volume   481.96429498
_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
  Sr  Sr0  1  0.32861873  0.00647431  0.75000000  1.0
  Th  Th1  1  0.99626918  0.67261304  0.25000000  1.0
  Th  Th2  1  0.00336244  0.32827147  0.75000000  1.0
  Th  Th3  1  0.67041795  0.99423228  0.25000000  1.0
  Al  Al4  1  0.13589572  0.13429411  0.25000000  1.0
  Al  Al5  1  0.86493260  0.86778338  0.75000000  1.0
  Al  Al6  1  0.00624231  0.33580052  0.07437847  1.0
  Al  Al7  1  0.99724729  0.66761554  0.92591948  1.0
  Al  Al8  1  0.99724729  0.66761554  0.57408052  1.0
  Al  Al9  1  0.33584611  0.00583289  0.43024686  1.0
  Al  Al10  1  0.00624231  0.33580052  0.42562153  1.0
  Al  Al11  1  0.66084624  0.99360813  0.57402892  1.0
  Al  Al12  1  0.66084624  0.99360813  0.92597108  1.0
  Al  Al13  1  0.33584611  0.00583289  0.06975314  1.0
  Al  Al14  1  0.33634014  0.33481828  0.54498663  1.0
  Al  Al15  1  0.66336812  0.66293692  0.45555750  1.0
  Al  Al16  1  0.66336812  0.66293692  0.04444250  1.0
  Al  Al17  1  0.33634014  0.33481828  0.95501337  1.0
  Al  Al18  1  0.34180905  0.54368029  0.25000000  1.0
  Al  Al19  1  0.66209414  0.45574417  0.75000000  1.0
  Al  Al20  1  0.54498278  0.34006324  0.25000000  1.0
  Al  Al21  1  0.45255899  0.65566910  0.75000000  1.0
  Ir  Ir22  1  0.67556737  0.33002995  0.00229450  1.0
  Ir  Ir23  1  0.32750541  0.67037772  0.00305204  1.0
  Ir  Ir24  1  0.32750541  0.67037772  0.49694796  1.0
  Ir  Ir25  1  0.67556737  0.33002995  0.49770550  1.0
  Ir  Ir26  1  0.99656622  0.99956634  0.00305027  1.0
  Ir  Ir27  1  0.99656622  0.99956634  0.49694973  1.0