# generated using pymatgen
data_Sc6Al16Ir7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.70556539
_cell_length_b   8.70556970
_cell_length_c   8.70558499
_cell_angle_alpha   59.99994159
_cell_angle_beta   59.99991251
_cell_angle_gamma   59.99983938
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc6Al16Ir7
_chemical_formula_sum   'Sc6 Al16 Ir7'
_cell_volume   466.52630327
_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  0.20774186  0.79226183  0.79225907  1.0
  Sc  Sc1  1  0.79225838  0.20774052  0.20774130  1.0
  Sc  Sc2  1  0.79226185  0.20773927  0.79225844  1.0
  Sc  Sc3  1  0.79225747  0.79226167  0.20773849  1.0
  Sc  Sc4  1  0.20774011  0.79225973  0.20773768  1.0
  Sc  Sc5  1  0.20773813  0.20773966  0.79226180  1.0
  Al  Al6  1  0.83312875  0.83313095  0.83312835  1.0
  Al  Al7  1  0.83312904  0.83313131  0.50060879  1.0
  Al  Al8  1  0.50061631  0.83312942  0.83312611  1.0
  Al  Al9  1  0.83313278  0.50059722  0.83313429  1.0
  Al  Al10  1  0.16687039  0.16687228  0.16687035  1.0
  Al  Al11  1  0.16686710  0.16686880  0.49939688  1.0
  Al  Al12  1  0.16687042  0.49938473  0.16687145  1.0
  Al  Al13  1  0.49940313  0.16686710  0.16686376  1.0
  Al  Al14  1  0.61996568  0.61996822  0.61996766  1.0
  Al  Al15  1  0.61996572  0.61996854  0.14009751  1.0
  Al  Al16  1  0.14009768  0.61996658  0.61996739  1.0
  Al  Al17  1  0.61996452  0.14010192  0.61996694  1.0
  Al  Al18  1  0.38003124  0.38003374  0.38003300  1.0
  Al  Al19  1  0.38003141  0.38003422  0.85990133  1.0
  Al  Al20  1  0.38003197  0.85990329  0.38003382  1.0
  Al  Al21  1  0.85989909  0.38003390  0.38003416  1.0
  Ir  Ir22  1  0.49999743  0.50000125  0.50000178  1.0
  Ir  Ir23  1  -0.00000352  0.49999649  0.50000426  1.0
  Ir  Ir24  1  0.50000451  0.00000267  -0.00000531  1.0
  Ir  Ir25  1  0.50000095  0.00000214  0.49999867  1.0
  Ir  Ir26  1  0.50000152  0.49999905  -0.00000257  1.0
  Ir  Ir27  1  -0.00000013  0.49999611  0.00000261  1.0
  Ir  Ir28  1  -0.00000378  0.00000539  0.50000199  1.0