# generated using pymatgen
data_Sc2Al(SnRu2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47411507
_cell_length_b   6.34507629
_cell_length_c   13.38126373
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00023311
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Al(SnRu2)3
_chemical_formula_sum   'Sc4 Al2 Sn6 Ru12'
_cell_volume   379.87536358
_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  0.99998008  0.50000100  0.33048905  1.0
  Sc  Sc1  1  0.50000014  0.00000000  0.50065108  1.0
  Sc  Sc2  1  0.00002109  0.50000100  0.66606926  1.0
  Sc  Sc3  1  0.50002505  0.00000000  0.83620890  1.0
  Al  Al4  1  0.00001353  0.50000100  0.00387336  1.0
  Al  Al5  1  0.49994967  0.00000000  0.16274078  1.0
  Sn  Sn6  1  0.00000767  0.00000000  0.99697121  1.0
  Sn  Sn7  1  0.49997437  0.50000100  0.16968225  1.0
  Sn  Sn8  1  0.99998246  0.00000000  0.33315752  1.0
  Sn  Sn9  1  0.50000008  0.50000100  0.49660155  1.0
  Sn  Sn10  1  0.00001675  0.00000000  0.67007811  1.0
  Sn  Sn11  1  0.50002327  0.50000100  0.83350810  1.0
  Ru  Ru12  1  0.50000723  0.25890635  0.00589938  1.0
  Ru  Ru13  1  0.50000723  0.74109465  0.00589938  1.0
  Ru  Ru14  1  0.99997506  0.24111418  0.16075817  1.0
  Ru  Ru15  1  0.99997506  0.75888482  0.16075817  1.0
  Ru  Ru16  1  0.49998209  0.23926915  0.32576996  1.0
  Ru  Ru17  1  0.49998209  0.76073085  0.32576996  1.0
  Ru  Ru18  1  0.00000029  0.25077383  0.49866877  1.0
  Ru  Ru19  1  0.00000029  0.74922717  0.49866877  1.0
  Ru  Ru20  1  0.50001689  0.24921338  0.66799579  1.0
  Ru  Ru21  1  0.50001689  0.75078662  0.66799579  1.0
  Ru  Ru22  1  0.00002237  0.26072749  0.84089235  1.0
  Ru  Ru23  1  0.00002237  0.73927151  0.84089235  1.0