# generated using pymatgen
data_Sm3Al12Ru3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.89061261
_cell_length_b   8.85350316
_cell_length_c   9.57175994
_cell_angle_alpha   90.00000229
_cell_angle_beta   89.96371525
_cell_angle_gamma   119.86202139
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Al12Ru3Au
_chemical_formula_sum   'Sm6 Al24 Ru6 Au2'
_cell_volume   653.38821565
_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
  Sm  Sm0  1  0.38215399  0.19107700  0.25207058  1.0
  Sm  Sm1  1  0.80892666  0.19263739  0.24718407  1.0
  Sm  Sm2  1  0.80892666  0.61628927  0.24718407  1.0
  Sm  Sm3  1  0.61784601  0.80892300  0.74792942  1.0
  Sm  Sm4  1  0.19107334  0.80736261  0.75281593  1.0
  Sm  Sm5  1  0.19107334  0.38371073  0.75281593  1.0
  Al  Al6  1  0.43488986  0.87098433  0.24284147  1.0
  Al  Al7  1  0.12244527  0.56122264  0.25047907  1.0
  Al  Al8  1  0.43488986  0.56390553  0.24284147  1.0
  Al  Al9  1  0.56511014  0.12901567  0.75715853  1.0
  Al  Al10  1  0.87755473  0.43877736  0.74952093  1.0
  Al  Al11  1  0.56511014  0.43609447  0.75715853  1.0
  Al  Al12  1  0.15166487  0.82868155  0.42000900  1.0
  Al  Al13  1  0.15166487  0.32298532  0.42000900  1.0
  Al  Al14  1  0.68096080  0.84048040  0.41711467  1.0
  Al  Al15  1  0.84833513  0.17131845  0.57999100  1.0
  Al  Al16  1  0.84833513  0.67701468  0.57999100  1.0
  Al  Al17  1  0.31903920  0.15951960  0.58288533  1.0
  Al  Al18  1  0.83629887  0.16354179  0.92501271  1.0
  Al  Al19  1  0.83629887  0.67275608  0.92501271  1.0
  Al  Al20  1  0.32634514  0.16317207  0.92801525  1.0
  Al  Al21  1  0.16370113  0.83645821  0.07498729  1.0
  Al  Al22  1  0.16370113  0.32724392  0.07498729  1.0
  Al  Al23  1  0.67365486  0.83682793  0.07198475  1.0
  Al  Al24  1  0.32178348  0.66089224  0.51970517  1.0
  Al  Al25  1  0.67821652  0.33910776  0.48029483  1.0
  Al  Al26  1  0.66663833  0.33331867  0.01813613  1.0
  Al  Al27  1  0.33336167  0.66668133  0.98186387  1.0
  Al  Al28  1  0.00269475  0.00134737  0.24897118  1.0
  Al  Al29  1  0.99730525  0.99865263  0.75102882  1.0
  Ru  Ru30  1  0.00000000  0.00000000  0.50000000  1.0
  Ru  Ru31  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru32  1  0.00000000  0.50000000  0.50000000  1.0
  Ru  Ru33  1  0.50000000  0.00000000  0.00000000  1.0
  Ru  Ru34  1  0.00000000  0.50000000  0.00000000  1.0
  Ru  Ru35  1  0.50000000  0.50000000  0.00000000  1.0
  Au  Au36  1  0.50000000  0.00000000  0.50000000  1.0
  Au  Au37  1  0.50000000  0.50000000  0.50000000  1.0