# generated using pymatgen
data_Sc3Pa(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.46821232
_cell_length_b   7.47244186
_cell_length_c   9.25272203
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.68969543
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Pa(Al3Ir)6
_chemical_formula_sum   'Sc3 Pa1 Al18 Ir6'
_cell_volume   448.56856925
_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
  Sc  Sc0  1  0.00329864  0.32854230  0.75000000  1.0
  Sc  Sc1  1  0.67353339  0.99395612  0.25000000  1.0
  Sc  Sc2  1  0.32907981  0.00464304  0.75000000  1.0
  Pa  Pa3  1  0.99479751  0.67132431  0.25000000  1.0
  Al  Al4  1  0.13213290  0.13243142  0.25000000  1.0
  Al  Al5  1  0.87567390  0.87908497  0.75000000  1.0
  Al  Al6  1  0.99957768  0.32929855  0.07195336  1.0
  Al  Al7  1  0.00167989  0.66481720  0.91615461  1.0
  Al  Al8  1  0.00167989  0.66481720  0.58384539  1.0
  Al  Al9  1  0.34158019  0.00476361  0.42768970  1.0
  Al  Al10  1  0.99957768  0.32929855  0.42804664  1.0
  Al  Al11  1  0.66528837  0.00274383  0.57605145  1.0
  Al  Al12  1  0.66528837  0.00274383  0.92394855  1.0
  Al  Al13  1  0.34158019  0.00476361  0.07231030  1.0
  Al  Al14  1  0.32964566  0.32984820  0.56177310  1.0
  Al  Al15  1  0.66178916  0.66659512  0.45144968  1.0
  Al  Al16  1  0.66178916  0.66659512  0.04855032  1.0
  Al  Al17  1  0.32964566  0.32984820  0.93822690  1.0
  Al  Al18  1  0.34226881  0.54929450  0.25000000  1.0
  Al  Al19  1  0.65852121  0.44562145  0.75000000  1.0
  Al  Al20  1  0.54551555  0.33930670  0.25000000  1.0
  Al  Al21  1  0.44690473  0.66210968  0.75000000  1.0
  Ir  Ir22  1  0.67485074  0.33033664  0.00160715  1.0
  Ir  Ir23  1  0.32488628  0.67199736  0.00139652  1.0
  Ir  Ir24  1  0.32488628  0.67199736  0.49860348  1.0
  Ir  Ir25  1  0.67485074  0.33033664  0.49839285  1.0
  Ir  Ir26  1  0.99983780  0.99644274  0.00249842  1.0
  Ir  Ir27  1  0.99983780  0.99644274  0.49750158  1.0