# generated using pymatgen
data_ZrSc(Al3Ir)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.43018026
_cell_length_b   7.43200979
_cell_length_c   9.22810189
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.78019228
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSc(Al3Ir)3
_chemical_formula_sum   'Zr2 Sc2 Al18 Ir6'
_cell_volume   442.28917708
_cell_formula_units_Z   2
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
  Zr  Zr0  1  0.99441776  0.67206870  0.25000000  1.0
  Zr  Zr1  1  0.00558224  0.32793130  0.75000000  1.0
  Sc  Sc2  1  0.67091901  0.99322330  0.25000000  1.0
  Sc  Sc3  1  0.32908099  0.00677670  0.75000000  1.0
  Al  Al4  1  0.12619674  0.12450843  0.25000000  1.0
  Al  Al5  1  0.87380326  0.87549157  0.75000000  1.0
  Al  Al6  1  0.99806379  0.33413019  0.07592589  1.0
  Al  Al7  1  0.00193621  0.66586981  0.92407411  1.0
  Al  Al8  1  0.00193621  0.66586981  0.57592589  1.0
  Al  Al9  1  0.33536271  0.99919944  0.42458656  1.0
  Al  Al10  1  0.99806379  0.33413019  0.42407411  1.0
  Al  Al11  1  0.66463729  0.00080056  0.57541344  1.0
  Al  Al12  1  0.66463729  0.00080056  0.92458656  1.0
  Al  Al13  1  0.33536271  0.99919944  0.07541344  1.0
  Al  Al14  1  0.33219892  0.33212292  0.55763429  1.0
  Al  Al15  1  0.66780108  0.66787708  0.44236571  1.0
  Al  Al16  1  0.66780108  0.66787708  0.05763429  1.0
  Al  Al17  1  0.33219892  0.33212292  0.94236571  1.0
  Al  Al18  1  0.33710038  0.55063480  0.25000000  1.0
  Al  Al19  1  0.66289962  0.44936520  0.75000000  1.0
  Al  Al20  1  0.55327206  0.34120403  0.25000000  1.0
  Al  Al21  1  0.44672794  0.65879597  0.75000000  1.0
  Ir  Ir22  1  0.67274398  0.32787056  0.99953314  1.0
  Ir  Ir23  1  0.32725602  0.67212944  0.00046686  1.0
  Ir  Ir24  1  0.32725602  0.67212944  0.49953314  1.0
  Ir  Ir25  1  0.67274398  0.32787056  0.50046686  1.0
  Ir  Ir26  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir27  1  0.00000000  0.00000000  0.50000000  1.0