# generated using pymatgen
data_Y3Sc7(Si5Ir2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.42502245
_cell_length_b   12.42502245
_cell_length_c   4.12994473
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.06274873
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Sc7(Si5Ir2)4
_chemical_formula_sum   'Y3 Sc7 Si20 Ir8'
_cell_volume   637.58536926
_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
  Y  Y0  1  0.11498592  0.61486662  0.50000000  1.0
  Y  Y1  1  0.88513338  0.38501408  0.50000000  1.0
  Y  Y2  1  0.61465089  0.88534911  0.50000000  1.0
  Sc  Sc3  1  0.38479702  0.11520298  0.50000000  1.0
  Sc  Sc4  1  0.67267888  0.17374346  0.50000000  1.0
  Sc  Sc5  1  0.32625654  0.82732112  0.50000000  1.0
  Sc  Sc6  1  0.17495373  0.32504627  0.50000000  1.0
  Sc  Sc7  1  0.82588557  0.67411443  0.50000000  1.0
  Sc  Sc8  1  0.00055168  0.00004843  0.00000000  1.0
  Sc  Sc9  1  0.49995157  0.49944832  0.00000000  1.0
  Si  Si10  1  0.56615208  0.06769444  0.00000000  1.0
  Si  Si11  1  0.43230556  0.93384792  0.00000000  1.0
  Si  Si12  1  0.06809049  0.43190951  0.00000000  1.0
  Si  Si13  1  0.93229367  0.56770633  0.00000000  1.0
  Si  Si14  1  0.20194759  0.16516592  0.00000000  1.0
  Si  Si15  1  0.79951040  0.83454938  0.00000000  1.0
  Si  Si16  1  0.16612245  0.80053952  0.00000000  1.0
  Si  Si17  1  0.69946048  0.33387755  0.00000000  1.0
  Si  Si18  1  0.83402080  0.20051249  0.00000000  1.0
  Si  Si19  1  0.29948751  0.66597920  0.00000000  1.0
  Si  Si20  1  0.66545062  0.70048960  0.00000000  1.0
  Si  Si21  1  0.33483408  0.29805241  0.00000000  1.0
  Si  Si22  1  0.00841667  0.15032107  0.50000000  1.0
  Si  Si23  1  0.99227671  0.84972135  0.50000000  1.0
  Si  Si24  1  0.15251970  0.99423828  0.50000000  1.0
  Si  Si25  1  0.50576172  0.34748030  0.50000000  1.0
  Si  Si26  1  0.84938528  0.00839196  0.50000000  1.0
  Si  Si27  1  0.49160804  0.65061472  0.50000000  1.0
  Si  Si28  1  0.65027865  0.50772329  0.50000000  1.0
  Si  Si29  1  0.34967893  0.49158333  0.50000000  1.0
  Ir  Ir30  1  0.02135181  0.24287835  0.00000000  1.0
  Ir  Ir31  1  0.97934145  0.75704438  0.00000000  1.0
  Ir  Ir32  1  0.24528265  0.98033110  0.00000000  1.0
  Ir  Ir33  1  0.51966890  0.25471735  0.00000000  1.0
  Ir  Ir34  1  0.75608073  0.02125142  0.00000000  1.0
  Ir  Ir35  1  0.47874858  0.74391927  0.00000000  1.0
  Ir  Ir36  1  0.74295562  0.52065855  0.00000000  1.0
  Ir  Ir37  1  0.25712165  0.47864819  0.00000000  1.0