# generated using pymatgen
data_Sm3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75956595
_cell_length_b   17.90263874
_cell_length_c   51.70104025
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.89826594
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Al
_chemical_formula_sum   'Sm72 Al24'
_cell_volume   6139.47326008
_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  0.894143  0.938415  0.247890  1
  Sm  Sm2  1  0.489991  0.306773  0.300881  1
  Sm  Sm3  1  0.279693  0.627421  0.314155  1
  Sm  Sm4  1  0.351917  0.029686  0.251011  1
  Sm  Sm5  1  0.986705  0.347054  0.262570  1
  Sm  Sm6  1  0.829253  0.589280  0.341189  1
  Sm  Sm7  1  0.139893  0.968613  0.314380  1
  Sm  Sm8  1  0.748142  0.241312  0.372923  1
  Sm  Sm9  1  0.045152  0.581410  0.255443  1
  Sm  Sm10  1  0.437604  0.812220  0.261116  1
  Sm  Sm11  1  0.046245  0.177711  0.313393  1
  Sm  Sm12  1  0.926828  0.375285  0.335643  1
  Sm  Sm13  1  0.958301  0.781153  0.289929  1
  Sm  Sm14  1  0.582139  0.099744  0.314330  1
  Sm  Sm15  1  0.370898  0.450962  0.358221  1
  Sm  Sm16  1  0.486358  0.780610  0.330710  1
  Sm  Sm17  1  0.813449  0.144552  0.254974  1
  Sm  Sm18  1  0.606806  0.489834  0.282365  1
  Sm  Sm19  1  0.196203  0.886984  0.386483  1
  Sm  Sm20  1  0.991300  0.116534  0.419182  1
  Sm  Sm21  1  0.899067  0.437356  0.463888  1
  Sm  Sm22  1  0.697832  0.920859  0.352709  1
  Sm  Sm23  1  0.506681  0.154278  0.443629  1
  Sm  Sm24  1  0.374475  0.475080  0.432971  1
  Sm  Sm25  1  0.493340  0.773337  0.453940  1
  Sm  Sm26  1  0.331854  0.053322  0.494874  1
  Sm  Sm27  1  0.812105  0.450943  0.396507  1
  Sm  Sm28  1  0.768492  0.746191  0.394808  1
  Sm  Sm29  1  0.660792  0.959537  0.420721  1
  Sm  Sm30  1  0.451029  0.347269  0.483603  1
  Sm  Sm31  1  0.344340  0.658904  0.386154  1
  Sm  Sm32  1  0.168859  0.960538  0.448441  1
  Sm  Sm33  1  1.006194  0.213583  0.476337  1
  Sm  Sm34  1  0.070976  0.635034  0.452366  1
  Sm  Sm35  1  0.371425  0.093590  0.376943  1
  Sm  Sm36  1  0.217522  0.303550  0.410720  1
  Sm  Sm37  1  0.589236  0.614155  0.494892  1
  Sm  Sm38  1  0.379472  0.001887  0.557774  1
  Sm  Sm39  1  0.271773  0.215232  0.583688  1
  Sm  Sm40  1  0.034071  0.747840  0.502158  1
  Sm  Sm41  1  0.871405  0.000885  0.530054  1
  Sm  Sm42  1  0.695924  0.302520  0.592342  1
  Sm  Sm43  1  0.822742  0.657874  0.567775  1
  Sm  Sm44  1  0.668840  0.867834  0.601553  1
  Sm  Sm45  1  0.969288  0.326390  0.526130  1
  Sm  Sm46  1  0.141198  0.524067  0.514607  1
  Sm  Sm47  1  0.048964  0.844890  0.559313  1
  Sm  Sm48  1  0.844061  0.074439  0.592012  1
  Sm  Sm49  1  0.665790  0.486344  0.545525  1
  Sm  Sm50  1  0.533583  0.807146  0.534866  1
  Sm  Sm51  1  0.342432  0.040564  0.625787  1
  Sm  Sm52  1  0.228159  0.510480  0.581989  1
  Sm  Sm53  1  0.708410  0.908102  0.483621  1
  Sm  Sm54  1  0.546925  0.188087  0.524555  1
  Sm  Sm55  1  0.113436  0.586139  0.642852  1
  Sm  Sm56  1  0.994019  0.783713  0.665102  1
  Sm  Sm57  1  0.602660  0.149203  0.717380  1
  Sm  Sm58  1  0.669366  0.510462  0.620274  1
  Sm  Sm59  1  0.458125  0.861679  0.664165  1
  Sm  Sm60  1  0.081963  0.180271  0.688567  1
  Sm  Sm61  1  0.433458  0.471590  0.696130  1
  Sm  Sm62  1  0.226816  0.816872  0.723522  1
  Sm  Sm63  1  0.553906  0.180814  0.647786  1
  Sm  Sm64  1  0.760572  0.334002  0.664340  1
  Sm  Sm65  1  0.550273  0.654650  0.677614  1
  Sm  Sm66  1  0.146121  0.023009  0.730605  1
  Sm  Sm67  1  0.211011  0.372143  0.637306  1
  Sm  Sm68  1  0.053560  0.614369  0.715926  1
  Sm  Sm69  1  0.688348  0.931738  0.727485  1
  Sm  Sm70  1  0.995113  0.380014  0.723052  1
  Sm  Sm71  1  0.292122  0.720112  0.605572  1
  Sm  Sm72  1  0.900371  0.992810  0.664116  1
  Al  Al73  1  0.026909  0.764088  0.347744  1
  Al  Al74  1  0.314730  0.194999  0.265786  1
  Al  Al75  1  0.145625  0.469590  0.301263  1
  Al  Al76  1  0.613815  0.930276  0.295343  1
  Al  Al77  1  0.309845  0.256338  0.352158  1
  Al  Al78  1  0.679236  0.660545  0.288242  1
  Al  Al79  1  0.646452  0.601819  0.433279  1
  Al  Al80  1  0.910914  0.061946  0.362313  1
  Al  Al81  1  0.721995  0.301859  0.430776  1
  Al  Al82  1  1.002675  0.810173  0.440760  1
  Al  Al83  1  0.825222  0.067451  0.477229  1
  Al  Al84  1  0.014989  0.578434  0.397823  1
  Al  Al85  1  0.025275  0.382990  0.580672  1
  Al  Al86  1  0.215042  0.893973  0.501266  1
  Al  Al87  1  0.037590  0.151251  0.537735  1
  Al  Al88  1  0.318270  0.659565  0.547719  1
  Al  Al89  1  0.129350  0.899478  0.616182  1
  Al  Al90  1  0.393812  0.359605  0.545217  1
  Al  Al91  1  0.361028  0.300878  0.690253  1
  Al  Al92  1  0.730419  0.705086  0.626337  1
  Al  Al93  1  0.426449  0.031148  0.683153  1
  Al  Al94  1  0.894640  0.491834  0.677233  1
  Al  Al95  1  0.725535  0.766425  0.712709  1
  Al  Al96  1  0.013355  0.197336  0.630752  1
