# generated using pymatgen
data_Y3Th(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.53401877
_cell_length_b   7.54411062
_cell_length_c   9.44635358
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.51391014
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Th(Al3Ir)6
_chemical_formula_sum   'Y3 Th1 Al18 Ir6'
_cell_volume   467.23573214
_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
  Y  Y0  1  0.00376366  0.32833522  0.75000000  1.0
  Y  Y1  1  0.67162674  0.99459241  0.25000000  1.0
  Y  Y2  1  0.32872151  0.00486515  0.75000000  1.0
  Th  Th3  1  0.99522241  0.67092683  0.25000000  1.0
  Al  Al4  1  0.13287729  0.13447405  0.25000000  1.0
  Al  Al5  1  0.86979686  0.87201957  0.75000000  1.0
  Al  Al6  1  0.00199347  0.33101405  0.07078900  1.0
  Al  Al7  1  0.99842183  0.66454351  0.92038532  1.0
  Al  Al8  1  0.99842183  0.66454351  0.57961468  1.0
  Al  Al9  1  0.33956302  0.00582686  0.42928467  1.0
  Al  Al10  1  0.00199347  0.33101405  0.42921100  1.0
  Al  Al11  1  0.66494500  0.99940751  0.57407514  1.0
  Al  Al12  1  0.66494500  0.99940751  0.92592486  1.0
  Al  Al13  1  0.33956302  0.00582686  0.07071533  1.0
  Al  Al14  1  0.33313409  0.33309366  0.55238550  1.0
  Al  Al15  1  0.66270588  0.66591119  0.45629035  1.0
  Al  Al16  1  0.66270588  0.66591119  0.04370965  1.0
  Al  Al17  1  0.33313409  0.33309366  0.94761450  1.0
  Al  Al18  1  0.34324014  0.54682223  0.25000000  1.0
  Al  Al19  1  0.65855615  0.45068103  0.75000000  1.0
  Al  Al20  1  0.54339300  0.33678506  0.25000000  1.0
  Al  Al21  1  0.45084859  0.66140854  0.75000000  1.0
  Ir  Ir22  1  0.67315911  0.32927202  0.00017308  1.0
  Ir  Ir23  1  0.32671164  0.67170717  0.00026210  1.0
  Ir  Ir24  1  0.32671164  0.67170717  0.49973790  1.0
  Ir  Ir25  1  0.67315911  0.32927202  0.49982692  1.0
  Ir  Ir26  1  0.00034180  0.99876949  0.00037376  1.0
  Ir  Ir27  1  0.00034180  0.99876949  0.49962624  1.0