# generated using pymatgen
data_Y3Zr(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.49408941
_cell_length_b   7.48344110
_cell_length_c   9.37391821
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.62733777
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Zr(Al3Ir)6
_chemical_formula_sum   'Y3 Zr1 Al18 Ir6'
_cell_volume   456.97311241
_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  0.00511203  0.32864549  0.75000000  1.0
  Y  Y1  1  0.67072068  0.99498201  0.25000000  1.0
  Y  Y2  1  0.32945224  0.00542102  0.75000000  1.0
  Zr  Zr3  1  0.99576151  0.67139119  0.25000000  1.0
  Al  Al4  1  0.12800595  0.12476506  0.25000000  1.0
  Al  Al5  1  0.87019257  0.86906487  0.75000000  1.0
  Al  Al6  1  0.00087391  0.33759133  0.07662790  1.0
  Al  Al7  1  0.99876994  0.66536307  0.92981643  1.0
  Al  Al8  1  0.99876994  0.66536307  0.57018357  1.0
  Al  Al9  1  0.33219041  0.99881322  0.42321548  1.0
  Al  Al10  1  0.00087391  0.33759133  0.42337210  1.0
  Al  Al11  1  0.66498304  0.99775676  0.57340989  1.0
  Al  Al12  1  0.66498304  0.99775676  0.92659011  1.0
  Al  Al13  1  0.33219041  0.99881322  0.07678452  1.0
  Al  Al14  1  0.33423646  0.33426431  0.54768430  1.0
  Al  Al15  1  0.66862276  0.66644331  0.44462661  1.0
  Al  Al16  1  0.66862276  0.66644331  0.05537339  1.0
  Al  Al17  1  0.33423646  0.33426431  0.95231570  1.0
  Al  Al18  1  0.33442716  0.54802591  0.25000000  1.0
  Al  Al19  1  0.66106760  0.45292073  0.75000000  1.0
  Al  Al20  1  0.55368219  0.34445654  0.25000000  1.0
  Al  Al21  1  0.45260908  0.66004912  0.75000000  1.0
  Ir  Ir22  1  0.67253975  0.32811664  0.00128197  1.0
  Ir  Ir23  1  0.32798152  0.67246862  0.00156379  1.0
  Ir  Ir24  1  0.32798152  0.67246862  0.49843621  1.0
  Ir  Ir25  1  0.67253975  0.32811664  0.49871803  1.0
  Ir  Ir26  1  0.99928671  0.99932025  0.00143965  1.0
  Ir  Ir27  1  0.99928671  0.99932025  0.49856035  1.0