# generated using pymatgen
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.05501519
_cell_length_b   23.73180313
_cell_length_c   50.46553850
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.39613132
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl
_chemical_formula_sum   'Sm80 Al80'
_cell_volume   9511.78929291
_cell_formula_units_Z   80
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  0.752921  0.140906  0.326504  1
  Sm  Sm2  1  0.971886  0.653261  0.289023  1
  Sm  Sm3  1  0.350585  0.324086  0.268990  1
  Sm  Sm4  1  0.060802  0.797900  0.312459  1
  Sm  Sm5  1  0.693683  0.907725  0.282543  1
  Sm  Sm6  1  0.481154  0.396320  0.325920  1
  Sm  Sm7  1  0.482566  0.069271  0.278452  1
  Sm  Sm8  1  0.250533  0.548457  0.322433  1
  Sm  Sm9  1  0.072508  0.222098  0.293855  1
  Sm  Sm10  1  0.823423  0.709986  0.356696  1
  Sm  Sm11  1  0.846073  0.381649  0.289796  1
  Sm  Sm12  1  0.623838  0.867154  0.350806  1
  Sm  Sm13  1  0.262109  0.963149  0.311776  1
  Sm  Sm14  1  0.012738  0.449250  0.353722  1
  Sm  Sm15  1  0.307744  0.127472  0.342761  1
  Sm  Sm16  1  0.521275  0.652157  0.301764  1
  Sm  Sm17  1  0.272499  0.104142  0.412508  1
  Sm  Sm18  1  0.498851  0.622784  0.373083  1
  Sm  Sm19  1  0.848040  0.286962  0.355164  1
  Sm  Sm20  1  0.541509  0.770520  0.405014  1
  Sm  Sm21  1  0.188550  0.871194  0.367797  1
  Sm  Sm22  1  0.963964  0.356249  0.410427  1
  Sm  Sm23  1  0.999868  0.033640  0.362801  1
  Sm  Sm24  1  0.762173  0.518601  0.405435  1
  Sm  Sm25  1  0.593895  0.194757  0.391566  1
  Sm  Sm26  1  0.344799  0.672543  0.438915  1
  Sm  Sm27  1  0.371383  0.348106  0.386713  1
  Sm  Sm28  1  0.147477  0.836579  0.434704  1
  Sm  Sm29  1  0.789094  0.944289  0.399306  1
  Sm  Sm30  1  0.552458  0.421987  0.440410  1
  Sm  Sm31  1  0.837401  0.089401  0.428286  1
  Sm  Sm32  1  0.079904  0.601454  0.387399  1
  Sm  Sm33  1  0.789385  0.074954  0.497847  1
  Sm  Sm34  1  0.029203  0.587401  0.456054  1
  Sm  Sm35  1  0.323145  0.253480  0.442983  1
  Sm  Sm36  1  0.070330  0.737122  0.486702  1
  Sm  Sm37  1  0.718285  0.843099  0.451485  1
  Sm  Sm38  1  0.486385  0.325967  0.494237  1
  Sm  Sm39  1  0.521537  1.002534  0.448473  1
  Sm  Sm40  1  0.287018  0.484999  0.490606  1
  Sm  Sm41  1  0.110692  0.159170  0.478131  1
  Sm  Sm42  1  0.876173  0.641634  0.520264  1
  Sm  Sm43  1  0.911325  0.318201  0.474500  1
  Sm  Sm44  1  0.679425  0.801070  0.517253  1
  Sm  Sm45  1  0.327381  0.907047  0.482036  1
  Sm  Sm46  1  0.074565  0.390689  0.525755  1
  Sm  Sm47  1  0.368507  0.056767  0.512684  1
  Sm  Sm48  1  0.608326  0.569215  0.470891  1
  Sm  Sm49  1  0.317806  0.042715  0.581339  1
  Sm  Sm50  1  0.560309  0.554767  0.540452  1
  Sm  Sm51  1  0.845252  0.222182  0.528328  1
  Sm  Sm52  1  0.608617  0.699879  0.569432  1
  Sm  Sm53  1  0.250233  0.807590  0.534034  1
  Sm  Sm54  1  0.026327  0.296063  0.582025  1
  Sm  Sm55  1  0.052912  0.971625  0.529823  1
  Sm  Sm56  1  0.803815  0.449412  0.577172  1
  Sm  Sm57  1  0.635538  0.125568  0.563303  1
  Sm  Sm58  1  0.397843  0.610528  0.605937  1
  Sm  Sm59  1  0.433747  0.287919  0.558311  1
  Sm  Sm60  1  0.209160  0.772975  0.600941  1
  Sm  Sm61  1  0.856201  0.873649  0.563724  1
  Sm  Sm62  1  0.549671  0.357206  0.613574  1
  Sm  Sm63  1  0.898859  0.021385  0.595654  1
  Sm  Sm64  1  0.125211  0.540027  0.556230  1
  Sm  Sm65  1  0.876435  0.992012  0.666974  1
  Sm  Sm66  1  0.089966  0.516696  0.625977  1
  Sm  Sm67  1  0.384973  0.194918  0.615016  1
  Sm  Sm68  1  0.135601  0.681020  0.656962  1
  Sm  Sm69  1  0.773872  0.777014  0.617932  1
  Sm  Sm70  1  0.551638  0.262520  0.678942  1
  Sm  Sm71  1  0.574287  0.934183  0.612042  1
  Sm  Sm72  1  0.325202  0.422071  0.674882  1
  Sm  Sm73  1  0.147178  0.095711  0.646305  1
  Sm  Sm74  1  0.915144  0.574898  0.690285  1
  Sm  Sm75  1  0.916556  0.247848  0.642818  1
  Sm  Sm76  1  0.704028  0.736444  0.686195  1
  Sm  Sm77  1  0.336908  0.846269  0.656279  1
  Sm  Sm78  1  0.047125  0.320083  0.699748  1
  Sm  Sm79  1  0.425824  0.990907  0.679715  1
  Sm  Sm80  1  0.644789  0.503262  0.642234  1
  Al  Al81  1  0.683049  0.270862  0.300337  1
  Al  Al82  1  0.430634  0.753881  0.344509  1
  Al  Al83  1  0.862877  0.018428  0.298752  1
  Al  Al84  1  0.634634  0.506856  0.338590  1
  Al  Al85  1  0.456439  0.197936  0.291736  1
  Al  Al86  1  0.194533  0.677170  0.337696  1
  Al  Al87  1  0.911561  0.926875  0.332420  1
  Al  Al88  1  0.160200  0.437874  0.294919  1
  Al  Al89  1  0.445735  0.256265  0.338468  1
  Al  Al90  1  0.696902  0.768246  0.303942  1
  Al  Al91  1  0.614277  0.005974  0.334418  1
  Al  Al92  1  0.874078  0.520634  0.298183  1
  Al  Al93  1  0.161012  0.331397  0.328170  1
  Al  Al94  1  0.399871  0.836123  0.304657  1
  Al  Al95  1  0.093534  0.087902  0.299148  1
  Al  Al96  1  0.845408  0.583842  0.341697  1
  Al  Al97  1  0.201559  0.237275  0.381748  1
  Al  Al98  1  0.951871  0.721112  0.424988  1
  Al  Al99  1  0.388006  0.988396  0.374783  1
  Al  Al100  1  0.152241  0.468955  0.417855  1
  Al  Al101  1  0.972484  0.161651  0.375941  1
  Al  Al102  1  0.731583  0.646565  0.418144  1
  Al  Al103  1  0.444906  0.900520  0.412395  1
  Al  Al104  1  0.676933  0.411155  0.376540  1
  Al  Al105  1  0.959135  0.219246  0.423618  1
  Al  Al106  1  0.187863  0.736180  0.384376  1
  Al  Al107  1  0.151060  0.974605  0.418436  1
  Al  Al108  1  0.382919  0.488191  0.377484  1
  Al  Al109  1  0.661370  0.296207  0.426666  1
  Al  Al110  1  0.890958  0.813588  0.390621  1
  Al  Al111  1  0.612448  0.066572  0.380173  1
  Al  Al112  1  0.374915  0.544518  0.425327  1
  Al  Al113  1  0.716646  0.207093  0.465499  1
  Al  Al114  1  0.480423  0.687379  0.507873  1
  Al  Al115  1  0.917287  0.956789  0.460865  1
  Al  Al116  1  0.681065  0.437075  0.503239  1
  Al  Al117  1  0.495342  0.131441  0.459275  1
  Al  Al118  1  0.259560  0.613092  0.502115  1
  Al  Al119  1  0.975898  0.866648  0.496449  1
  Al  Al120  1  0.210959  0.381504  0.455576  1
  Al  Al121  1  0.482484  0.187885  0.507689  1
  Al  Al122  1  0.716359  0.702826  0.465871  1
  Al  Al123  1  0.681351  0.941342  0.502867  1
  Al  Al124  1  0.915226  0.456283  0.461049  1
  Al  Al125  1  0.186751  0.262665  0.513162  1
  Al  Al126  1  0.421812  0.777521  0.472289  1
  Al  Al127  1  0.138150  0.031076  0.466623  1
  Al  Al128  1  0.902369  0.512727  0.509463  1
  Al  Al129  1  0.245469  0.175214  0.550883  1
  Al  Al130  1  1.009704  0.655772  0.593955  1
  Al  Al131  1  0.445839  0.923057  0.543750  1
  Al  Al132  1  0.196151  0.406894  0.586990  1
  Al  Al133  1  0.022796  0.099651  0.543411  1
  Al  Al134  1  0.785262  0.577596  0.588565  1
  Al  Al135  1  0.506753  0.830580  0.578117  1
  Al  Al136  1  0.736340  0.347962  0.542072  1
  Al  Al137  1  0.014791  0.155977  0.591254  1
  Al  Al138  1  0.246651  0.669563  0.550302  1
  Al  Al139  1  0.209848  0.907988  0.584362  1
  Al  Al140  1  0.438575  0.424922  0.545120  1
  Al  Al141  1  0.720777  0.233013  0.592198  1
  Al  Al142  1  0.952804  0.743649  0.556343  1
  Al  Al143  1  0.666127  0.997603  0.550594  1
  Al  Al144  1  0.425226  0.482518  0.592797  1
  Al  Al145  1  0.763076  0.137312  0.630148  1
  Al  Al146  1  0.534833  0.625740  0.669986  1
  Al  Al147  1  0.967076  0.890288  0.624229  1
  Al  Al148  1  0.714661  0.373306  0.668401  1
  Al  Al149  1  0.552302  0.060326  0.627041  1
  Al  Al150  1  0.304176  0.556266  0.669590  1
  Al  Al151  1  0.997839  0.808046  0.664081  1
  Al  Al152  1  0.236698  0.312772  0.640568  1
  Al  Al153  1  0.523632  0.123535  0.670555  1
  Al  Al154  1  0.783433  0.638194  0.634320  1
  Al  Al155  1  0.700808  0.875923  0.664796  1
  Al  Al156  1  0.951975  0.387904  0.630270  1
  Al  Al157  1  0.237510  0.206295  0.673818  1
  Al  Al158  1  0.486149  0.717294  0.636318  1
  Al  Al159  1  0.203177  0.966999  0.631042  1
  Al  Al160  1  0.941271  0.446233  0.677002  1
