# generated using pymatgen
data_Sc5(Si5Ir2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.35156589
_cell_length_b   12.35166888
_cell_length_c   4.09325654
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99999860
_cell_angle_gamma   90.00020192
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc5(Si5Ir2)2
_chemical_formula_sum   'Sc10 Si20 Ir8'
_cell_volume   624.47725450
_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  0.11590778  0.61592342  0.50000006  1.0
  Sc  Sc1  1  0.88409116  0.38407126  0.50000025  1.0
  Sc  Sc2  1  0.61596338  0.88405684  0.49999976  1.0
  Sc  Sc3  1  0.38403524  0.11594853  0.50000027  1.0
  Sc  Sc4  1  0.67298298  0.17300058  0.50000339  1.0
  Sc  Sc5  1  0.32701489  0.82699501  0.49999557  1.0
  Sc  Sc6  1  0.17296709  0.32704854  0.50000220  1.0
  Sc  Sc7  1  0.82703352  0.67295286  0.50000119  1.0
  Sc  Sc8  1  0.00000013  -0.00000032  0.00000028  1.0
  Sc  Sc9  1  0.50000019  0.50000126  0.00000043  1.0
  Si  Si10  1  0.56592329  0.06592848  -0.00000031  1.0
  Si  Si11  1  0.43407714  0.93407058  0.00000025  1.0
  Si  Si12  1  0.06592152  0.43408153  -0.00000043  1.0
  Si  Si13  1  0.93407856  0.56592048  -0.00000007  1.0
  Si  Si14  1  0.20040428  0.16603083  -0.00000037  1.0
  Si  Si15  1  0.79959672  0.83396969  -0.00000013  1.0
  Si  Si16  1  0.16600947  0.79956826  0.00000003  1.0
  Si  Si17  1  0.70043102  0.33399499  -0.00000020  1.0
  Si  Si18  1  0.83398773  0.20042804  -0.00000016  1.0
  Si  Si19  1  0.29956856  0.66600697  0.00000005  1.0
  Si  Si20  1  0.66602965  0.70041294  -0.00000023  1.0
  Si  Si21  1  0.33397139  0.29959017  -0.00000033  1.0
  Si  Si22  1  0.00627761  0.15176665  0.49999987  1.0
  Si  Si23  1  0.99372101  0.84823439  0.49999996  1.0
  Si  Si24  1  0.15174671  0.99373140  0.50000004  1.0
  Si  Si25  1  0.50627426  0.34824846  0.49999996  1.0
  Si  Si26  1  0.84825483  0.00627522  0.49999988  1.0
  Si  Si27  1  0.49372415  0.65175057  0.49999998  1.0
  Si  Si28  1  0.65177475  0.50627771  0.49999994  1.0
  Si  Si29  1  0.34822750  0.49371610  0.49999990  1.0
  Ir  Ir30  1  0.01911241  0.24611252  -0.00000017  1.0
  Ir  Ir31  1  0.98088895  0.75388825  -0.00000023  1.0
  Ir  Ir32  1  0.24607583  0.98088045  0.00000019  1.0
  Ir  Ir33  1  0.51911061  0.25391953  -0.00000016  1.0
  Ir  Ir34  1  0.75392546  0.01911716  -0.00000047  1.0
  Ir  Ir35  1  0.48089016  0.74607920  0.00000016  1.0
  Ir  Ir36  1  0.74612227  0.51911119  -0.00000000  1.0
  Ir  Ir37  1  0.25387779  0.48089027  -0.00000034  1.0