# generated using pymatgen
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93063408
_cell_length_b   28.50588896
_cell_length_c   51.46915328
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl
_chemical_formula_sum   'Sm80 Al80'
_cell_volume   8701.27194094
_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  0.678104  0.406444  0.269207  1
  Sm  Sm2  1  0.624206  0.858217  0.310160  1
  Sm  Sm3  1  0.883987  0.506713  0.310141  1
  Sm  Sm4  1  0.892838  0.952163  0.358218  1
  Sm  Sm5  1  0.310808  0.118252  0.291023  1
  Sm  Sm6  1  0.341199  0.568259  0.336845  1
  Sm  Sm7  1  0.098407  0.225610  0.333923  1
  Sm  Sm8  1  0.119934  0.796881  0.284736  1
  Sm  Sm9  1  0.876986  0.394521  0.336694  1
  Sm  Sm10  1  0.009562  0.952342  0.287753  1
  Sm  Sm11  1  0.639069  0.621393  0.284029  1
  Sm  Sm12  1  0.699183  0.061150  0.333853  1
  Sm  Sm13  1  0.074655  0.232632  0.266339  1
  Sm  Sm14  1  0.121945  0.680456  0.309460  1
  Sm  Sm15  1  0.307964  0.335461  0.309723  1
  Sm  Sm16  1  0.354731  0.780673  0.355118  1
  Sm  Sm17  1  0.655261  0.286483  0.359848  1
  Sm  Sm18  1  0.675504  0.730386  0.403727  1
  Sm  Sm19  1  0.879303  0.390474  0.403039  1
  Sm  Sm20  1  0.889394  0.833475  0.449087  1
  Sm  Sm21  1  0.347304  0.009749  0.384779  1
  Sm  Sm22  1  0.329593  0.450476  0.426768  1
  Sm  Sm23  1  0.121699  0.113319  0.427421  1
  Sm  Sm24  1  0.121237  0.674265  0.377184  1
  Sm  Sm25  1  0.880124  0.278450  0.427008  1
  Sm  Sm26  1  0.885874  0.838594  0.381822  1
  Sm  Sm27  1  0.672353  0.500823  0.377747  1
  Sm  Sm28  1  0.675145  0.941909  0.425665  1
  Sm  Sm29  1  0.128176  0.116675  0.360389  1
  Sm  Sm30  1  0.120435  0.560849  0.401458  1
  Sm  Sm31  1  0.329943  0.220328  0.402263  1
  Sm  Sm32  1  0.333905  0.663221  0.444994  1
  Sm  Sm33  1  0.671733  0.171270  0.451866  1
  Sm  Sm34  1  0.666319  0.612337  0.494370  1
  Sm  Sm35  1  0.885954  0.274977  0.494959  1
  Sm  Sm36  1  0.880883  0.715982  0.537887  1
  Sm  Sm37  1  0.335540  0.892301  0.473742  1
  Sm  Sm38  1  0.336703  0.333307  0.519186  1
  Sm  Sm39  1  0.118826  0.996311  0.517804  1
  Sm  Sm40  1  0.116419  0.554737  0.469291  1
  Sm  Sm41  1  0.886944  0.161942  0.519153  1
  Sm  Sm42  1  0.884537  0.720369  0.470640  1
  Sm  Sm43  1  0.666660  0.383373  0.469259  1
  Sm  Sm44  1  0.667823  0.824379  0.514703  1
  Sm  Sm45  1  0.122480  1.000698  0.450558  1
  Sm  Sm46  1  0.117409  0.441702  0.493486  1
  Sm  Sm47  1  0.337044  0.104343  0.494075  1
  Sm  Sm48  1  0.331630  0.545410  0.536578  1
  Sm  Sm49  1  0.669459  0.053459  0.543451  1
  Sm  Sm50  1  0.673421  0.496351  0.586182  1
  Sm  Sm51  1  0.882928  0.155831  0.586987  1
  Sm  Sm52  1  0.875187  0.600004  0.628056  1
  Sm  Sm53  1  0.328218  0.774771  0.562780  1
  Sm  Sm54  1  0.331011  0.215856  0.610698  1
  Sm  Sm55  1  0.117490  0.878086  0.606623  1
  Sm  Sm56  1  0.123240  0.438230  0.561437  1
  Sm  Sm57  1  0.882127  0.042415  0.611261  1
  Sm  Sm58  1  0.881665  0.603361  0.561024  1
  Sm  Sm59  1  0.673771  0.266204  0.561677  1
  Sm  Sm60  1  0.656060  0.706930  0.603666  1
  Sm  Sm61  1  0.113970  0.883204  0.539358  1
  Sm  Sm62  1  0.124060  0.326206  0.585405  1
  Sm  Sm63  1  0.327859  0.986294  0.584718  1
  Sm  Sm64  1  0.348102  0.430197  0.628597  1
  Sm  Sm65  1  0.648632  0.936007  0.633327  1
  Sm  Sm66  1  0.695400  0.381218  0.678722  1
  Sm  Sm67  1  0.881418  0.036224  0.678985  1
  Sm  Sm68  1  0.928708  0.484048  0.722106  1
  Sm  Sm69  1  0.304181  0.655530  0.654591  1
  Sm  Sm70  1  0.364295  0.095286  0.704416  1
  Sm  Sm71  1  0.993801  0.764338  0.700692  1
  Sm  Sm72  1  0.126378  0.322159  0.651751  1
  Sm  Sm73  1  0.883430  0.919798  0.703709  1
  Sm  Sm74  1  0.904956  0.491070  0.654522  1
  Sm  Sm75  1  0.662165  0.148421  0.651600  1
  Sm  Sm76  1  0.692555  0.598427  0.697422  1
  Sm  Sm77  1  0.110526  0.764517  0.630227  1
  Sm  Sm78  1  0.119376  0.209967  0.678304  1
  Sm  Sm79  1  0.379157  0.858463  0.678284  1
  Sm  Sm80  1  0.325259  0.310236  0.719238  1
  Al  Al81  1  0.413024  0.510351  0.282302  1
  Al  Al82  1  0.428973  0.953264  0.329121  1
  Al  Al83  1  0.562380  0.229381  0.301910  1
  Al  Al84  1  0.603170  0.677421  0.343718  1
  Al  Al85  1  0.164351  0.427529  0.282300  1
  Al  Al86  1  0.125345  0.869823  0.329440  1
  Al  Al87  1  0.827289  0.150419  0.301916  1
  Al  Al88  1  0.851923  0.597154  0.344296  1
  Al  Al89  1  0.414299  0.450549  0.324623  1
  Al  Al90  1  0.505675  1.006540  0.286104  1
  Al  Al91  1  0.583696  0.172297  0.346554  1
  Al  Al92  1  0.604219  0.738724  0.299985  1
  Al  Al93  1  0.133832  0.585005  0.279919  1
  Al  Al94  1  0.184733  0.030591  0.324945  1
  Al  Al95  1  0.812693  0.308830  0.299438  1
  Al  Al96  1  0.864710  0.761401  0.340659  1
  Al  Al97  1  0.403353  0.392310  0.369036  1
  Al  Al98  1  0.415988  0.836249  0.414987  1
  Al  Al99  1  0.595294  0.114621  0.393097  1
  Al  Al100  1  0.588760  0.557273  0.435582  1
  Al  Al101  1  0.144742  0.312075  0.370914  1
  Al  Al102  1  0.159607  0.757391  0.415795  1
  Al  Al103  1  0.858030  0.036199  0.395745  1
  Al  Al104  1  0.844503  0.478037  0.438174  1
  Al  Al105  1  0.403666  0.334638  0.414536  1
  Al  Al106  1  0.414129  0.893910  0.370491  1
  Al  Al107  1  0.597544  0.056971  0.438950  1
  Al  Al108  1  0.598616  0.616657  0.389272  1
  Al  Al109  1  0.154408  0.472978  0.366272  1
  Al  Al110  1  0.159864  0.915576  0.413521  1
  Al  Al111  1  0.843930  0.193806  0.389959  1
  Al  Al112  1  0.847650  0.636245  0.433010  1
  Al  Al113  1  0.413532  0.277039  0.460867  1
  Al  Al114  1  0.411461  0.718264  0.504227  1
  Al  Al115  1  0.591902  0.998416  0.484218  1
  Al  Al116  1  0.589832  0.439641  0.527577  1
  Al  Al117  1  0.157148  0.198370  0.463888  1
  Al  Al118  1  0.152731  0.639472  0.506180  1
  Al  Al119  1  0.849099  0.919306  0.485735  1
  Al  Al120  1  0.850017  0.361301  0.530460  1
  Al  Al121  1  0.414057  0.218535  0.506981  1
  Al  Al122  1  0.412766  0.777167  0.459441  1
  Al  Al123  1  0.590597  0.939512  0.529004  1
  Al  Al124  1  0.589307  0.498145  0.481464  1
  Al  Al125  1  0.153346  0.355379  0.457985  1
  Al  Al126  1  0.154264  0.797373  0.502710  1
  Al  Al127  1  0.850632  0.077208  0.482265  1
  Al  Al128  1  0.846215  0.518310  0.524557  1
  Al  Al129  1  0.414603  0.159407  0.552863  1
  Al  Al130  1  0.408070  0.602059  0.595348  1
  Al  Al131  1  0.587376  0.880431  0.573458  1
  Al  Al132  1  0.600011  0.324370  0.619408  1
  Al  Al133  1  0.155714  0.080435  0.555435  1
  Al  Al134  1  0.159433  0.522874  0.598485  1
  Al  Al135  1  0.843499  0.801104  0.574924  1
  Al  Al136  1  0.848955  0.243701  0.622173  1
  Al  Al137  1  0.404747  0.100023  0.599173  1
  Al  Al138  1  0.405820  0.659709  0.549495  1
  Al  Al139  1  0.589234  0.822770  0.617954  1
  Al  Al140  1  0.599697  0.382042  0.573909  1
  Al  Al141  1  0.158860  0.238643  0.550271  1
  Al  Al142  1  0.145334  0.680481  0.592700  1
  Al  Al143  1  0.843757  0.959289  0.572650  1
  Al  Al144  1  0.858622  0.404604  0.617530  1
  Al  Al145  1  0.400193  0.039259  0.644727  1
  Al  Al146  1  0.440983  0.487299  0.686534  1
  Al  Al147  1  0.574390  0.763416  0.659324  1
  Al  Al148  1  0.590340  0.206329  0.706143  1
  Al  Al149  1  0.138653  0.955279  0.647786  1
  Al  Al150  1  0.190671  0.407849  0.689007  1
  Al  Al151  1  0.818631  0.686089  0.663500  1
  Al  Al152  1  0.869532  0.131675  0.708525  1
  Al  Al153  1  0.399144  0.977956  0.688460  1
  Al  Al154  1  0.419667  0.544383  0.641891  1
  Al  Al155  1  0.497688  0.710140  0.702340  1
  Al  Al156  1  0.589064  0.266131  0.663822  1
  Al  Al157  1  0.151440  0.119526  0.644149  1
  Al  Al158  1  0.176075  0.566261  0.686529  1
  Al  Al159  1  0.878018  0.846857  0.659005  1
  Al  Al160  1  0.839012  0.289151  0.706145  1
