# generated using pymatgen
data_Y16Sc4(Ir3Ru)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.70490009
_cell_length_b   10.70490009
_cell_length_c   6.32862826
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y16Sc4(Ir3Ru)3
_chemical_formula_sum   'Y16 Sc4 Ir9 Ru3'
_cell_volume   725.22843319
_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  0.28981401  0.08490542  0.38030668  1.0
  Y  Y1  1  0.29006033  0.91543906  0.88069243  1.0
  Y  Y2  1  0.70993967  0.08456094  0.88069243  1.0
  Y  Y3  1  0.71018599  0.91509458  0.38030668  1.0
  Y  Y4  1  0.58456094  0.79006033  0.88069243  1.0
  Y  Y5  1  0.58490542  0.21018599  0.38030668  1.0
  Y  Y6  1  0.41509458  0.78981401  0.38030668  1.0
  Y  Y7  1  0.41543906  0.20993967  0.88069243  1.0
  Y  Y8  1  0.21201425  0.41436045  0.62195042  1.0
  Y  Y9  1  0.21144956  0.58569240  0.11899509  1.0
  Y  Y10  1  0.78855044  0.41430760  0.11899509  1.0
  Y  Y11  1  0.78798575  0.58563955  0.62195042  1.0
  Y  Y12  1  0.91430760  0.71144956  0.11899509  1.0
  Y  Y13  1  0.91436045  0.28798575  0.62195042  1.0
  Y  Y14  1  0.08563955  0.71201425  0.62195042  1.0
  Y  Y15  1  0.08569240  0.28855044  0.11899509  1.0
  Sc  Sc16  1  0.00000000  0.00000000  0.49771657  1.0
  Sc  Sc17  1  0.00000000  0.00000000  0.99770714  1.0
  Sc  Sc18  1  0.50000000  0.50000000  0.99770714  1.0
  Sc  Sc19  1  0.50000000  0.50000000  0.49771657  1.0
  Ir  Ir20  1  0.85420633  0.14646669  0.24922437  1.0
  Ir  Ir21  1  0.85380914  0.85370730  0.74900249  1.0
  Ir  Ir22  1  0.14619086  0.14629270  0.74900249  1.0
  Ir  Ir23  1  0.14579367  0.85353331  0.24922437  1.0
  Ir  Ir24  1  0.64629270  0.35380914  0.74900249  1.0
  Ir  Ir25  1  0.64646669  0.64579367  0.24922437  1.0
  Ir  Ir26  1  0.35353331  0.35420633  0.24922437  1.0
  Ir  Ir27  1  0.35370730  0.64619086  0.74900249  1.0
  Ir  Ir28  1  0.00000000  0.50000000  0.37403013  1.0
  Ru  Ru29  1  0.50000000  0.00000000  0.13149263  1.0
  Ru  Ru30  1  0.50000000  0.00000000  0.63100640  1.0
  Ru  Ru31  1  0.00000000  0.50000000  0.87193750  1.0