# generated using pymatgen
data_Sm3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.83968447
_cell_length_b   10.82562532
_cell_length_c   51.58658264
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Al
_chemical_formula_sum   'Sm72 Al24'
_cell_volume   5931.19233605
_cell_formula_units_Z   24
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  Sm1  1  0.064265  0.065818  0.313686  1
  Sm  Sm2  1  0.564265  0.565818  0.313686  1
  Sm  Sm3  1  0.717356  0.219184  0.276242  1
  Sm  Sm4  1  0.217356  0.719184  0.276242  1
  Sm  Sm5  1  0.021628  0.766569  0.336210  1
  Sm  Sm6  1  0.521628  0.266569  0.336210  1
  Sm  Sm7  1  0.602925  0.859500  0.293978  1
  Sm  Sm8  1  0.102925  0.359500  0.293978  1
  Sm  Sm9  1  0.765253  0.023000  0.336226  1
  Sm  Sm10  1  0.265253  0.523000  0.336226  1
  Sm  Sm11  1  0.357871  0.104090  0.294018  1
  Sm  Sm12  1  0.857871  0.604090  0.294018  1
  Sm  Sm13  1  0.893949  0.895123  0.393478  1
  Sm  Sm14  1  0.393949  0.395123  0.393478  1
  Sm  Sm15  1  0.478909  0.980040  0.355963  1
  Sm  Sm16  1  0.978909  0.480040  0.355963  1
  Sm  Sm17  1  0.853264  0.605055  0.413090  1
  Sm  Sm18  1  0.353264  0.105055  0.413090  1
  Sm  Sm19  1  0.438479  0.684659  0.375235  1
  Sm  Sm20  1  0.938479  0.184659  0.375235  1
  Sm  Sm21  1  0.603900  0.854455  0.413089  1
  Sm  Sm22  1  0.103900  0.354455  0.413089  1
  Sm  Sm23  1  0.183500  0.939691  0.375216  1
  Sm  Sm24  1  0.683500  0.439691  0.375216  1
  Sm  Sm25  1  0.728743  0.729833  0.471090  1
  Sm  Sm26  1  0.228743  0.229833  0.471090  1
  Sm  Sm27  1  0.312814  0.813952  0.432598  1
  Sm  Sm28  1  0.812814  0.313952  0.432598  1
  Sm  Sm29  1  0.686924  0.437837  0.490413  1
  Sm  Sm30  1  0.186924  0.937837  0.490413  1
  Sm  Sm31  1  0.270814  0.521461  0.451698  1
  Sm  Sm32  1  0.770814  0.021461  0.451698  1
  Sm  Sm33  1  0.436775  0.687979  0.490415  1
  Sm  Sm34  1  0.936775  0.187979  0.490415  1
  Sm  Sm35  1  0.020356  0.771900  0.451698  1
  Sm  Sm36  1  0.520356  0.271900  0.451698  1
  Sm  Sm37  1  0.561530  0.562489  0.548121  1
  Sm  Sm38  1  0.061530  0.062489  0.548121  1
  Sm  Sm39  1  0.145127  0.646157  0.509602  1
  Sm  Sm40  1  0.645127  0.146157  0.509602  1
  Sm  Sm41  1  0.519763  0.270928  0.567622  1
  Sm  Sm42  1  0.019763  0.770928  0.567622  1
  Sm  Sm43  1  0.103448  0.354604  0.528922  1
  Sm  Sm44  1  0.603448  0.854604  0.528922  1
  Sm  Sm45  1  0.269990  0.520682  0.567616  1
  Sm  Sm46  1  0.769990  0.020682  0.567616  1
  Sm  Sm47  1  0.853609  0.604463  0.528922  1
  Sm  Sm48  1  0.353609  0.104463  0.528922  1
  Sm  Sm49  1  0.396145  0.397032  0.625961  1
  Sm  Sm50  1  0.896145  0.897032  0.625961  1
  Sm  Sm51  1  0.978299  0.479217  0.586892  1
  Sm  Sm52  1  0.478299  0.979217  0.586892  1
  Sm  Sm53  1  0.352735  0.106820  0.644180  1
  Sm  Sm54  1  0.852735  0.606820  0.644180  1
  Sm  Sm55  1  0.937223  0.187492  0.605797  1
  Sm  Sm56  1  0.437223  0.687492  0.605797  1
  Sm  Sm57  1  0.105993  0.353390  0.644179  1
  Sm  Sm58  1  0.605993  0.853390  0.644179  1
  Sm  Sm59  1  0.686574  0.438176  0.605809  1
  Sm  Sm60  1  0.186574  0.938176  0.605809  1
  Sm  Sm61  1  0.225369  0.225964  0.703572  1
  Sm  Sm62  1  0.725369  0.725964  0.703572  1
  Sm  Sm63  1  0.811283  0.312128  0.662567  1
  Sm  Sm64  1  0.311283  0.812128  0.662567  1
  Sm  Sm65  1  0.187664  0.936071  0.722738  1
  Sm  Sm66  1  0.687664  0.436071  0.722738  1
  Sm  Sm67  1  0.768088  0.024119  0.684713  1
  Sm  Sm68  1  0.268088  0.524119  0.684713  1
  Sm  Sm69  1  0.935704  0.187983  0.722673  1
  Sm  Sm70  1  0.435704  0.687983  0.722673  1
  Sm  Sm71  1  0.523251  0.269192  0.684728  1
  Sm  Sm72  1  0.023251  0.769192  0.684728  1
  Al  Al73  1  0.896381  0.897828  0.286077  1
  Al  Al74  1  0.396381  0.397828  0.286077  1
  Al  Al75  1  0.321216  0.822506  0.324164  1
  Al  Al76  1  0.821216  0.322506  0.324164  1
  Al  Al77  1  0.727543  0.728759  0.355033  1
  Al  Al78  1  0.227543  0.228759  0.355033  1
  Al  Al79  1  0.145587  0.646791  0.394813  1
  Al  Al80  1  0.645587  0.146791  0.394813  1
  Al  Al81  1  0.561840  0.562965  0.432962  1
  Al  Al82  1  0.061840  0.062965  0.432962  1
  Al  Al83  1  0.978832  0.479910  0.471013  1
  Al  Al84  1  0.478832  0.979910  0.471013  1
  Al  Al85  1  0.395154  0.396177  0.509664  1
  Al  Al86  1  0.895154  0.896177  0.509664  1
  Al  Al87  1  0.811690  0.312672  0.548196  1
  Al  Al88  1  0.311690  0.812672  0.548196  1
  Al  Al89  1  0.228631  0.229546  0.586444  1
  Al  Al90  1  0.728631  0.729546  0.586444  1
  Al  Al91  1  0.644983  0.145852  0.625306  1
  Al  Al92  1  0.144983  0.645852  0.625306  1
  Al  Al93  1  0.061791  0.062572  0.663355  1
  Al  Al94  1  0.561791  0.562572  0.663355  1
  Al  Al95  1  0.471393  0.972103  0.696219  1
  Al  Al96  1  0.971393  0.472103  0.696219  1
