# generated using pymatgen
data_Sc6Al8Ni3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.98141296
_cell_length_b   8.99389355
_cell_length_c   8.44999892
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.68038241
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc6Al8Ni3Ir
_chemical_formula_sum   'Sc12 Al16 Ni6 Ir2'
_cell_volume   587.03116881
_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
  Sc  Sc0  1  0.33298516  0.00391592  0.06017974  1.0
  Sc  Sc1  1  0.66701484  0.99608408  0.93982026  1.0
  Sc  Sc2  1  0.00000759  0.33234114  0.05897805  1.0
  Sc  Sc3  1  0.66701484  0.99608408  0.56017974  1.0
  Sc  Sc4  1  0.00000759  0.33234114  0.44102195  1.0
  Sc  Sc5  1  0.99999241  0.66765886  0.94102195  1.0
  Sc  Sc6  1  0.33298516  0.00391592  0.43982026  1.0
  Sc  Sc7  1  0.99999241  0.66765886  0.55897805  1.0
  Sc  Sc8  1  0.67006457  0.66888488  0.06234239  1.0
  Sc  Sc9  1  0.32993543  0.33111512  0.93765761  1.0
  Sc  Sc10  1  0.32993543  0.33111512  0.56234239  1.0
  Sc  Sc11  1  0.67006457  0.66888488  0.43765761  1.0
  Al  Al12  1  0.34410878  0.84242062  0.75000000  1.0
  Al  Al13  1  0.64817964  0.49844742  0.75000000  1.0
  Al  Al14  1  0.65589122  0.15757938  0.25000000  1.0
  Al  Al15  1  0.35182036  0.50155258  0.25000000  1.0
  Al  Al16  1  0.83545440  0.33503976  0.75000000  1.0
  Al  Al17  1  0.16454560  0.66496024  0.25000000  1.0
  Al  Al18  1  0.33948070  0.66446876  0.50777516  1.0
  Al  Al19  1  0.66051930  0.33553124  0.49222484  1.0
  Al  Al20  1  0.66051930  0.33553124  0.00777516  1.0
  Al  Al21  1  0.33948070  0.66446876  0.99222484  1.0
  Al  Al22  1  0.17653266  0.00650163  0.75000000  1.0
  Al  Al23  1  0.82346734  0.99349837  0.25000000  1.0
  Al  Al24  1  0.00662464  0.17710299  0.75000000  1.0
  Al  Al25  1  0.99337536  0.82289701  0.25000000  1.0
  Al  Al26  1  0.82522415  0.83191185  0.75000000  1.0
  Al  Al27  1  0.17477585  0.16808815  0.25000000  1.0
  Ni  Ni28  1  0.16323725  0.49786035  0.75000000  1.0
  Ni  Ni29  1  0.83676275  0.50213965  0.25000000  1.0
  Ni  Ni30  1  0.50595112  0.67360260  0.75000000  1.0
  Ni  Ni31  1  0.49911433  0.17114325  0.75000000  1.0
  Ni  Ni32  1  0.49404888  0.32639740  0.25000000  1.0
  Ni  Ni33  1  0.50088567  0.82885675  0.25000000  1.0
  Ir  Ir34  1  0.00000000  0.00000000  0.50000000  1.0
  Ir  Ir35  1  0.00000000  0.00000000  0.00000000  1.0