# generated using pymatgen
data_Sc2Sn2IrRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52410247
_cell_length_b   6.39445148
_cell_length_c   13.56709731
_cell_angle_alpha   90.02270649
_cell_angle_beta   90.00003255
_cell_angle_gamma   90.00015038
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Sn2IrRu3
_chemical_formula_sum   'Sc6 Sn6 Ir3 Ru9'
_cell_volume   392.48461266
_cell_formula_units_Z   3
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  0.00000337  0.50078093  0.99863709  1.0
  Sc  Sc1  1  0.49995882  0.99835116  0.16927662  1.0
  Sc  Sc2  1  0.99996792  0.50079705  0.33548669  1.0
  Sc  Sc3  1  0.50001439  0.00017899  0.50039564  1.0
  Sc  Sc4  1  0.00002406  0.49967211  0.66583663  1.0
  Sc  Sc5  1  0.50003196  0.00006482  0.83031766  1.0
  Sn  Sn6  1  0.00000331  0.99791543  0.99821138  1.0
  Sn  Sn7  1  0.49996121  0.50444114  0.17066853  1.0
  Sn  Sn8  1  0.99996373  0.99721581  0.33548410  1.0
  Sn  Sn9  1  0.50001418  0.49993119  0.50001520  1.0
  Sn  Sn10  1  0.00002160  0.00016663  0.66661696  1.0
  Sn  Sn11  1  0.50003291  0.50038945  0.82903870  1.0
  Ir  Ir12  1  0.50000456  0.25207741  0.00088193  1.0
  Ir  Ir13  1  0.50000253  0.74803273  0.00030528  1.0
  Ir  Ir14  1  0.99995343  0.24983056  0.16534114  1.0
  Ru  Ru15  1  0.99996014  0.75137034  0.16478827  1.0
  Ru  Ru16  1  0.49997182  0.24886953  0.33201315  1.0
  Ru  Ru17  1  0.49996001  0.75093708  0.33279305  1.0
  Ru  Ru18  1  0.99999860  0.25009354  0.49940761  1.0
  Ru  Ru19  1  0.00003531  0.74908283  0.50049579  1.0
  Ru  Ru20  1  0.50003851  0.24904397  0.66678136  1.0
  Ru  Ru21  1  0.50000976  0.75114542  0.66665161  1.0
  Ru  Ru22  1  0.00003586  0.25027905  0.83572932  1.0
  Ru  Ru23  1  0.00003501  0.74933883  0.83482428  1.0