# generated using pymatgen
data_SmAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.94966214
_cell_length_b   15.24358328
_cell_length_c   50.20590511
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   111.16580946
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl3
_chemical_formula_sum   'Sm42 Al126'
_cell_volume   7814.65467752
_cell_formula_units_Z   42
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  0.009265  0.866612  0.284780  1
  Sm  Sm2  1  0.169933  0.164311  0.303258  1
  Sm  Sm3  1  0.334347  0.497136  0.326389  1
  Sm  Sm4  1  0.422716  0.028775  0.293373  1
  Sm  Sm5  1  0.577833  0.320914  0.312860  1
  Sm  Sm6  1  0.742659  0.659127  0.334439  1
  Sm  Sm7  1  0.491584  0.804018  0.346474  1
  Sm  Sm8  1  0.650891  0.127080  0.365572  1
  Sm  Sm9  1  0.810373  0.439632  0.385633  1
  Sm  Sm10  1  0.894501  0.961062  0.353886  1
  Sm  Sm11  1  0.060203  0.288048  0.375654  1
  Sm  Sm12  1  0.215932  0.597434  0.395760  1
  Sm  Sm13  1  0.968584  0.756567  0.407269  1
  Sm  Sm14  1  0.125990  0.074683  0.428605  1
  Sm  Sm15  1  0.285048  0.389391  0.449011  1
  Sm  Sm16  1  0.376284  0.915184  0.417694  1
  Sm  Sm17  1  0.534732  0.232777  0.438348  1
  Sm  Sm18  1  0.693665  0.548264  0.459523  1
  Sm  Sm19  1  0.443652  0.707139  0.470268  1
  Sm  Sm20  1  0.602725  0.023594  0.490763  1
  Sm  Sm21  1  0.760302  0.339345  0.511519  1
  Sm  Sm22  1  0.852310  0.865793  0.480176  1
  Sm  Sm23  1  0.009887  0.181544  0.500931  1
  Sm  Sm24  1  0.168960  0.497999  0.521427  1
  Sm  Sm25  1  0.918947  0.656875  0.532171  1
  Sm  Sm26  1  0.077880  0.972361  0.553347  1
  Sm  Sm27  1  0.236328  0.289954  0.574001  1
  Sm  Sm28  1  0.327564  0.815747  0.542684  1
  Sm  Sm29  1  0.486622  0.130455  0.563090  1
  Sm  Sm30  1  0.644028  0.448571  0.584425  1
  Sm  Sm31  1  0.396680  0.607704  0.595935  1
  Sm  Sm32  1  0.552409  0.917090  0.616041  1
  Sm  Sm33  1  0.718111  0.244076  0.637809  1
  Sm  Sm34  1  0.802239  0.765506  0.606062  1
  Sm  Sm35  1  0.961721  0.078058  0.626123  1
  Sm  Sm36  1  0.121027  0.401120  0.645221  1
  Sm  Sm37  1  0.869953  0.546012  0.657256  1
  Sm  Sm38  1  0.034779  0.884224  0.678835  1
  Sm  Sm39  1  0.189896  0.176363  0.698321  1
  Sm  Sm40  1  0.278265  0.708002  0.665305  1
  Sm  Sm41  1  0.442679  0.040827  0.688437  1
  Sm  Sm42  1  0.603347  0.338526  0.706915  1
  Al  Al43  1  0.658293  0.991700  0.321257  1
  Al  Al44  1  0.343859  0.361032  0.284700  1
  Al  Al45  1  0.510203  0.676057  0.297941  1
  Al  Al46  1  0.485134  0.845610  0.286254  1
  Al  Al47  1  0.715085  0.170099  0.300548  1
  Al  Al48  1  0.834758  0.492881  0.321618  1
  Al  Al49  1  0.726163  0.840184  0.305396  1
  Al  Al50  1  0.909083  0.152687  0.332109  1
  Al  Al51  1  0.591160  0.515242  0.293377  1
  Al  Al52  1  0.247810  0.828106  0.314408  1
  Al  Al53  1  0.391489  0.144628  0.341006  1
  Al  Al54  1  0.085365  0.515958  0.294970  1
  Al  Al55  1  0.879858  0.025586  0.291395  1
  Al  Al56  1  0.076462  0.331966  0.311690  1
  Al  Al57  1  0.223925  0.653481  0.331813  1
  Al  Al58  1  0.174590  0.984116  0.330310  1
  Al  Al59  1  0.863251  0.356457  0.286518  1
  Al  Al60  1  0.009821  0.669918  0.304988  1
  Al  Al61  1  0.147916  0.943944  0.383953  1
  Al  Al62  1  0.834499  0.310917  0.339605  1
  Al  Al63  1  0.986906  0.626686  0.360765  1
  Al  Al64  1  0.013015  0.807250  0.345007  1
  Al  Al65  1  0.152855  0.123486  0.366323  1
  Al  Al66  1  0.329544  0.440421  0.386675  1
  Al  Al67  1  0.221886  0.786004  0.371549  1
  Al  Al68  1  0.377656  0.101031  0.394131  1
  Al  Al69  1  0.055511  0.471139  0.348674  1
  Al  Al70  1  0.717722  0.779838  0.381411  1
  Al  Al71  1  0.881276  0.097008  0.398876  1
  Al  Al72  1  0.567426  0.463720  0.356400  1
  Al  Al73  1  0.391158  0.964912  0.355110  1
  Al  Al74  1  0.542670  0.284322  0.375514  1
  Al  Al75  1  0.707308  0.597568  0.396847  1
  Al  Al76  1  0.647661  0.939868  0.390009  1
  Al  Al77  1  0.325842  0.305245  0.347052  1
  Al  Al78  1  0.494978  0.620273  0.371259  1
  Al  Al79  1  0.625905  0.893780  0.445300  1
  Al  Al80  1  0.306734  0.260018  0.403084  1
  Al  Al81  1  0.466393  0.576210  0.425497  1
  Al  Al82  1  0.478923  0.755950  0.408507  1
  Al  Al83  1  0.640690  0.074308  0.427841  1
  Al  Al84  1  0.798247  0.390458  0.448882  1
  Al  Al85  1  0.698029  0.734604  0.435520  1
  Al  Al86  1  0.854992  0.052307  0.455057  1
  Al  Al87  1  0.541020  0.419378  0.413557  1
  Al  Al88  1  0.195265  0.727787  0.441738  1
  Al  Al89  1  0.353830  0.045700  0.462753  1
  Al  Al90  1  0.035335  0.413030  0.421771  1
  Al  Al91  1  0.864376  0.916561  0.417406  1
  Al  Al92  1  0.020205  0.232273  0.438076  1
  Al  Al93  1  0.180858  0.548824  0.458973  1
  Al  Al94  1  0.122651  0.887190  0.452400  1
  Al  Al95  1  0.806284  0.254087  0.411061  1
  Al  Al96  1  0.963375  0.570102  0.431464  1
  Al  Al97  1  0.100879  0.843183  0.507737  1
  Al  Al98  1  0.783180  0.210018  0.466078  1
  Al  Al99  1  0.942620  0.526436  0.486871  1
  Al  Al100  1  0.957685  0.707021  0.469651  1
  Al  Al101  1  0.116161  0.023500  0.490812  1
  Al  Al102  1  0.274582  0.339814  0.511691  1
  Al  Al103  1  0.172816  0.684936  0.497316  1
  Al  Al104  1  0.330783  1.001422  0.517937  1
  Al  Al105  1  0.013898  0.367974  0.476485  1
  Al  Al106  1  0.669992  0.678702  0.504824  1
  Al  Al107  1  0.829432  0.995120  0.525616  1
  Al  Al108  1  0.511733  0.361955  0.483957  1
  Al  Al109  1  0.338030  0.865325  0.480004  1
  Al  Al110  1  0.496451  0.181638  0.500883  1
  Al  Al111  1  0.654927  0.498117  0.522044  1
  Al  Al112  1  0.598714  0.837164  0.515210  1
  Al  Al113  1  0.281829  0.203716  0.473758  1
  Al  Al114  1  0.439796  0.520202  0.494379  1
  Al  Al115  1  0.577277  0.792108  0.569924  1
  Al  Al116  1  0.258782  0.159438  0.528942  1
  Al  Al117  1  0.417347  0.477351  0.549957  1
  Al  Al118  1  0.431753  0.656314  0.532721  1
  Al  Al119  1  0.592407  0.972865  0.553618  1
  Al  Al120  1  0.748236  0.288577  0.574288  1
  Al  Al121  1  0.649237  0.635036  0.560231  1
  Al  Al122  1  0.806328  0.951051  0.580633  1
  Al  Al123  1  0.489961  0.317948  0.539295  1
  Al  Al124  1  0.146219  0.628928  0.566198  1
  Al  Al125  1  0.305878  0.945120  0.588611  1
  Al  Al126  1  0.986707  0.311358  0.546394  1
  Al  Al127  1  0.814364  0.814680  0.542812  1
  Al  Al128  1  0.971922  0.130830  0.563853  1
  Al  Al129  1  0.133689  0.449188  0.583188  1
  Al  Al130  1  0.071592  0.785760  0.578138  1
  Al  Al131  1  0.757620  0.152831  0.536637  1
  Al  Al132  1  0.914583  0.470535  0.556175  1
  Al  Al133  1  0.045186  0.741418  0.635294  1
  Al  Al134  1  0.731336  0.108130  0.592819  1
  Al  Al135  1  0.894890  0.425300  0.610284  1
  Al  Al136  1  0.905304  0.607570  0.594847  1
  Al  Al137  1  0.069942  0.920816  0.616181  1
  Al  Al138  1  0.221454  0.240226  0.636584  1
  Al  Al139  1  0.117634  0.584865  0.620436  1
  Al  Al140  1  0.286770  0.899893  0.644643  1
  Al  Al141  1  0.964951  0.265270  0.601686  1
  Al  Al142  1  0.625706  0.578452  0.630929  1
  Al  Al143  1  0.778113  0.894221  0.652090  1
  Al  Al144  1  0.464696  0.261194  0.607742  1
  Al  Al145  1  0.283068  0.764717  0.605020  1
  Al  Al146  1  0.459757  0.081653  0.625372  1
  Al  Al147  1  0.599597  0.397888  0.646688  1
  Al  Al148  1  0.557101  0.733999  0.643021  1
  Al  Al149  1  0.234956  0.104107  0.597564  1
  Al  Al150  1  0.390726  0.419134  0.620146  1
  Al  Al151  1  0.527247  0.689180  0.696725  1
  Al  Al152  1  0.221123  0.060510  0.650688  1
  Al  Al153  1  0.364802  0.377032  0.677287  1
  Al  Al154  1  0.388687  0.551657  0.659881  1
  Al  Al155  1  0.536150  0.873172  0.680005  1
  Al  Al156  1  0.732754  0.179552  0.700300  1
  Al  Al157  1  0.602791  0.535220  0.686707  1
  Al  Al158  1  0.749361  0.848681  0.705177  1
  Al  Al159  1  0.438022  0.221023  0.661384  1
  Al  Al160  1  0.102409  0.529081  0.693754  1
  Al  Al161  1  0.268753  0.844106  0.706995  1
  Al  Al162  1  0.954319  0.213438  0.670437  1
  Al  Al163  1  0.777854  0.712258  0.670077  1
  Al  Al164  1  0.897527  0.035039  0.691147  1
  Al  Al165  1  0.127478  0.359528  0.705441  1
  Al  Al166  1  0.021452  0.689896  0.698318  1
  Al  Al167  1  0.703529  0.052452  0.659586  1
  Al  Al168  1  0.886449  0.364954  0.686299  1
