# generated using pymatgen
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.08252152
_cell_length_b   23.91538880
_cell_length_c   45.90563660
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.00235779
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl
_chemical_formula_sum   'Sm128 Al128'
_cell_volume   14284.0428732
_cell_formula_units_Z   128
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  0.315400  0.626148  0.306476  1
  Sm  Sm2  1  0.815400  0.126148  0.306476  1
  Sm  Sm3  1  0.728506  0.601164  0.366270  1
  Sm  Sm4  1  0.228506  0.101164  0.366270  1
  Sm  Sm5  1  0.375276  0.769037  0.341741  1
  Sm  Sm6  1  0.875276  0.269037  0.341741  1
  Sm  Sm7  1  0.966373  0.789098  0.280744  1
  Sm  Sm8  1  0.466373  0.289098  0.280744  1
  Sm  Sm9  1  0.049191  0.348223  0.377370  1
  Sm  Sm10  1  0.549191  0.848223  0.377370  1
  Sm  Sm11  1  0.632054  0.370884  0.321785  1
  Sm  Sm12  1  0.132054  0.870884  0.321785  1
  Sm  Sm13  1  0.932965  0.503303  0.381814  1
  Sm  Sm14  1  0.432965  0.003303  0.381814  1
  Sm  Sm15  1  0.524148  0.523107  0.325549  1
  Sm  Sm16  1  0.024148  0.023107  0.325549  1
  Sm  Sm17  1  0.479404  0.725769  0.273230  1
  Sm  Sm18  1  0.979404  0.225769  0.273230  1
  Sm  Sm19  1  0.887418  0.694361  0.332090  1
  Sm  Sm20  1  0.387418  0.194361  0.332090  1
  Sm  Sm21  1  0.350739  0.875733  0.279497  1
  Sm  Sm22  1  0.850739  0.375733  0.279497  1
  Sm  Sm23  1  0.772038  0.851727  0.333623  1
  Sm  Sm24  1  0.272038  0.351727  0.333623  1
  Sm  Sm25  1  0.043414  0.454605  0.314059  1
  Sm  Sm26  1  0.543414  0.954605  0.314059  1
  Sm  Sm27  1  0.444579  0.425212  0.374229  1
  Sm  Sm28  1  0.944579  0.925212  0.374229  1
  Sm  Sm29  1  0.096969  0.594697  0.347930  1
  Sm  Sm30  1  0.596969  0.094697  0.347930  1
  Sm  Sm31  1  0.679485  0.620616  0.290431  1
  Sm  Sm32  1  0.179485  0.120616  0.290431  1
  Sm  Sm33  1  0.142686  0.577529  0.422561  1
  Sm  Sm34  1  0.642686  0.077529  0.422561  1
  Sm  Sm35  1  0.555052  0.553612  0.477992  1
  Sm  Sm36  1  0.055052  0.053612  0.477992  1
  Sm  Sm37  1  0.202713  0.724698  0.451927  1
  Sm  Sm38  1  0.702713  0.224698  0.451927  1
  Sm  Sm39  1  0.790597  0.749474  0.396294  1
  Sm  Sm40  1  0.290597  0.249474  0.396294  1
  Sm  Sm41  1  0.871456  0.299719  0.487481  1
  Sm  Sm42  1  0.371456  0.799719  0.487481  1
  Sm  Sm43  1  0.460117  0.323043  0.432766  1
  Sm  Sm44  1  0.960117  0.823043  0.432766  1
  Sm  Sm45  1  0.754724  0.456748  0.493443  1
  Sm  Sm46  1  0.254724  0.956748  0.493443  1
  Sm  Sm47  1  0.343064  0.480765  0.438311  1
  Sm  Sm48  1  0.843064  0.980765  0.438311  1
  Sm  Sm49  1  0.304800  0.668835  0.387116  1
  Sm  Sm50  1  0.804800  0.168835  0.387116  1
  Sm  Sm51  1  0.717756  0.645826  0.442461  1
  Sm  Sm52  1  0.217756  0.145826  0.442461  1
  Sm  Sm53  1  0.187614  0.826098  0.392800  1
  Sm  Sm54  1  0.687614  0.326098  0.392800  1
  Sm  Sm55  1  0.601137  0.802724  0.448626  1
  Sm  Sm56  1  0.101137  0.302724  0.448626  1
  Sm  Sm57  1  0.857124  0.401398  0.428180  1
  Sm  Sm58  1  0.357124  0.901398  0.428180  1
  Sm  Sm59  1  0.268236  0.377966  0.484373  1
  Sm  Sm60  1  0.768236  0.877966  0.484373  1
  Sm  Sm61  1  0.917616  0.549010  0.458397  1
  Sm  Sm62  1  0.417616  0.049010  0.458397  1
  Sm  Sm63  1  0.508358  0.572114  0.403147  1
  Sm  Sm64  1  0.008358  0.072114  0.403147  1
  Sm  Sm65  1  0.965906  0.529926  0.533478  1
  Sm  Sm66  1  0.465906  0.029926  0.533478  1
  Sm  Sm67  1  0.375164  0.506821  0.588728  1
  Sm  Sm68  1  0.875164  0.006821  0.588728  1
  Sm  Sm69  1  0.026398  0.677538  0.563695  1
  Sm  Sm70  1  0.526398  0.177538  0.563695  1
  Sm  Sm71  1  0.615286  0.700970  0.507502  1
  Sm  Sm72  1  0.115286  0.200970  0.507502  1
  Sm  Sm73  1  0.695908  0.252837  0.599075  1
  Sm  Sm74  1  0.195908  0.752837  0.599075  1
  Sm  Sm75  1  0.282385  0.276211  0.543249  1
  Sm  Sm76  1  0.782385  0.776211  0.543249  1
  Sm  Sm77  1  0.578722  0.410101  0.604759  1
  Sm  Sm78  1  0.078722  0.910101  0.604759  1
  Sm  Sm79  1  0.165766  0.433109  0.549414  1
  Sm  Sm80  1  0.665766  0.933109  0.549414  1
  Sm  Sm81  1  0.128799  0.622187  0.498432  1
  Sm  Sm82  1  0.628799  0.122187  0.498432  1
  Sm  Sm83  1  0.540459  0.598170  0.553564  1
  Sm  Sm84  1  0.040459  0.098170  0.553564  1
  Sm  Sm85  1  0.012066  0.779217  0.504394  1
  Sm  Sm86  1  0.512066  0.279217  0.504394  1
  Sm  Sm87  1  0.423405  0.755893  0.559109  1
  Sm  Sm88  1  0.923405  0.255893  0.559109  1
  Sm  Sm89  1  0.680810  0.354237  0.539948  1
  Sm  Sm90  1  0.180810  0.854237  0.539948  1
  Sm  Sm91  1  0.092925  0.329461  0.595581  1
  Sm  Sm92  1  0.592925  0.829461  0.595581  1
  Sm  Sm93  1  0.740836  0.501407  0.569314  1
  Sm  Sm94  1  0.240836  1.001407  0.569314  1
  Sm  Sm95  1  0.328470  0.525324  0.513883  1
  Sm  Sm96  1  0.828470  0.025324  0.513883  1
  Sm  Sm97  1  0.786553  0.484239  0.643945  1
  Sm  Sm98  1  0.286553  0.984239  0.643945  1
  Sm  Sm99  1  0.204038  0.458320  0.701444  1
  Sm  Sm100  1  0.704038  0.958320  0.701444  1
  Sm  Sm101  1  0.840108  0.624330  0.677816  1
  Sm  Sm102  1  0.340108  0.124330  0.677816  1
  Sm  Sm103  1  0.438943  0.653723  0.617646  1
  Sm  Sm104  1  0.938943  0.153723  0.617646  1
  Sm  Sm105  1  0.532783  0.203202  0.712378  1
  Sm  Sm106  1  0.032783  0.703202  0.712378  1
  Sm  Sm107  1  0.111484  0.227208  0.658252  1
  Sm  Sm108  1  0.611484  0.727208  0.658252  1
  Sm  Sm109  1  0.404118  0.353166  0.718645  1
  Sm  Sm110  1  0.904118  0.853166  0.718645  1
  Sm  Sm111  1  0.996104  0.384575  0.659785  1
  Sm  Sm112  1  0.496104  0.884575  0.659785  1
  Sm  Sm113  1  0.950557  0.575632  0.610061  1
  Sm  Sm114  1  0.450557  0.075632  0.610061  1
  Sm  Sm115  1  0.359374  0.555828  0.666326  1
  Sm  Sm116  1  0.859374  0.055828  0.666326  1
  Sm  Sm117  1  0.834331  0.730712  0.614505  1
  Sm  Sm118  1  0.334331  0.230712  0.614505  1
  Sm  Sm119  1  0.251468  0.708052  0.670090  1
  Sm  Sm120  1  0.751468  0.208052  0.670090  1
  Sm  Sm121  1  0.508246  0.309898  0.650134  1
  Sm  Sm122  1  0.008246  0.809898  0.650134  1
  Sm  Sm123  1  0.917149  0.289837  0.711131  1
  Sm  Sm124  1  0.417149  0.789837  0.711131  1
  Sm  Sm125  1  0.568122  0.452787  0.685398  1
  Sm  Sm126  1  0.068122  0.952787  0.685398  1
  Sm  Sm127  1  0.155016  0.477771  0.625605  1
  Sm  Sm128  1  0.655016  0.977771  0.625605  1
  Al  Al129  1  0.227515  0.758040  0.286412  1
  Al  Al130  1  0.727515  0.258040  0.286412  1
  Al  Al131  1  0.640746  0.731691  0.338990  1
  Al  Al132  1  0.140746  0.231691  0.338990  1
  Al  Al133  1  0.179183  0.465857  0.375805  1
  Al  Al134  1  0.679183  0.965857  0.375805  1
  Al  Al135  1  0.770414  0.489033  0.321500  1
  Al  Al136  1  0.270414  0.989033  0.321500  1
  Al  Al137  1  0.082124  0.668517  0.291199  1
  Al  Al138  1  0.582124  0.168517  0.291199  1
  Al  Al139  1  0.506599  0.650916  0.341668  1
  Al  Al140  1  0.006599  0.150916  0.341668  1
  Al  Al141  1  0.423007  0.418962  0.299500  1
  Al  Al142  1  0.923007  0.918962  0.299500  1
  Al  Al143  1  0.847155  0.397327  0.351492  1
  Al  Al144  1  0.347155  0.897327  0.351492  1
  Al  Al145  1  0.142803  0.730194  0.338389  1
  Al  Al146  1  0.642803  0.230194  0.338389  1
  Al  Al147  1  0.725108  0.754701  0.286225  1
  Al  Al148  1  0.225108  0.254701  0.286225  1
  Al  Al149  1  0.272186  0.491402  0.322510  1
  Al  Al150  1  0.772186  0.991402  0.322510  1
  Al  Al151  1  0.680798  0.464356  0.375900  1
  Al  Al152  1  0.180798  0.964356  0.375900  1
  Al  Al153  1  0.978864  0.799423  0.358854  1
  Al  Al154  1  0.478864  0.299423  0.358854  1
  Al  Al155  1  0.554224  0.824664  0.309534  1
  Al  Al156  1  0.054224  0.324664  0.309534  1
  Al  Al157  1  0.318761  0.545133  0.370678  1
  Al  Al158  1  0.818761  0.045133  0.370678  1
  Al  Al159  1  0.899790  0.569181  0.315740  1
  Al  Al160  1  0.399790  0.069181  0.315740  1
  Al  Al161  1  0.056722  0.708707  0.393211  1
  Al  Al162  1  0.556722  0.208707  0.393211  1
  Al  Al163  1  0.471684  0.684471  0.449076  1
  Al  Al164  1  0.971684  0.184471  0.449076  1
  Al  Al165  1  1.000100  0.418007  0.486904  1
  Al  Al166  1  0.500100  0.918007  0.486904  1
  Al  Al167  1  0.589945  0.441747  0.431604  1
  Al  Al168  1  0.089945  0.941747  0.431604  1
  Al  Al169  1  0.921736  0.629252  0.398233  1
  Al  Al170  1  0.421736  0.129252  0.398233  1
  Al  Al171  1  0.334886  0.606306  0.454438  1
  Al  Al172  1  0.834886  0.106306  0.454438  1
  Al  Al173  1  0.254607  0.375938  0.408460  1
  Al  Al174  1  0.754607  0.875938  0.408460  1
  Al  Al175  1  0.664553  0.351783  0.465026  1
  Al  Al176  1  0.164553  0.851783  0.465026  1
  Al  Al177  1  0.970845  0.683752  0.448815  1
  Al  Al178  1  0.470845  0.183752  0.448815  1
  Al  Al179  1  0.557230  0.706837  0.392966  1
  Al  Al180  1  0.057230  0.206837  0.392966  1
  Al  Al181  1  0.090063  0.442247  0.431567  1
  Al  Al182  1  0.590063  0.942247  0.431567  1
  Al  Al183  1  0.500534  0.418452  0.487327  1
  Al  Al184  1  1.000534  0.918452  0.487327  1
  Al  Al185  1  0.807929  0.750699  0.471428  1
  Al  Al186  1  0.307929  0.250699  0.471428  1
  Al  Al187  1  0.395525  0.774432  0.415806  1
  Al  Al188  1  0.895525  0.274432  0.415806  1
  Al  Al189  1  0.136855  0.496404  0.481880  1
  Al  Al190  1  0.636855  0.996404  0.481880  1
  Al  Al191  1  0.727494  0.519972  0.425820  1
  Al  Al192  1  0.227494  0.019972  0.425820  1
  Al  Al193  1  0.883422  0.660929  0.504971  1
  Al  Al194  1  0.383422  0.160929  0.504971  1
  Al  Al195  1  0.293578  0.637189  0.560271  1
  Al  Al196  1  0.793578  0.137189  0.560271  1
  Al  Al197  1  0.826800  0.370229  0.598664  1
  Al  Al198  1  0.326800  0.870229  0.598664  1
  Al  Al199  1  0.411839  0.394465  0.542799  1
  Al  Al200  1  0.911839  0.894465  0.542799  1
  Al  Al201  1  0.746667  0.582531  0.509995  1
  Al  Al202  1  0.246667  0.082531  0.509995  1
  Al  Al203  1  0.156028  0.558964  0.566055  1
  Al  Al204  1  0.656028  0.058964  0.566055  1
  Al  Al205  1  0.075593  0.328236  0.520447  1
  Al  Al206  1  0.575593  0.828236  0.520447  1
  Al  Al207  1  0.487997  0.304503  0.576069  1
  Al  Al208  1  0.987997  0.804503  0.576069  1
  Al  Al209  1  0.793459  0.636689  0.560308  1
  Al  Al210  1  0.293459  0.136689  0.560308  1
  Al  Al211  1  0.382988  0.660484  0.504548  1
  Al  Al212  1  0.882988  0.160484  0.504548  1
  Al  Al213  1  0.912678  0.395184  0.543059  1
  Al  Al214  1  0.412678  0.895184  0.543059  1
  Al  Al215  1  0.326292  0.372099  0.598909  1
  Al  Al216  1  0.826292  0.872099  0.598909  1
  Al  Al217  1  0.628915  0.702998  0.583415  1
  Al  Al218  1  0.128915  0.202998  0.583415  1
  Al  Al219  1  0.218969  0.727152  0.526849  1
  Al  Al220  1  0.718969  0.227152  0.526849  1
  Al  Al221  1  0.961786  0.449683  0.593642  1
  Al  Al222  1  0.461786  0.949683  0.593642  1
  Al  Al223  1  0.548636  0.472629  0.537437  1
  Al  Al224  1  0.048636  0.972629  0.537437  1
  Al  Al225  1  0.704339  0.613079  0.616070  1
  Al  Al226  1  0.204339  0.113079  0.616070  1
  Al  Al227  1  0.113109  0.589903  0.670375  1
  Al  Al228  1  0.613109  0.089903  0.670375  1
  Al  Al229  1  0.656007  0.320896  0.705463  1
  Al  Al230  1  0.156007  0.820896  0.705463  1
  Al  Al231  1  0.242776  0.347244  0.652885  1
  Al  Al232  1  0.742776  0.847244  0.652885  1
  Al  Al233  1  0.564761  0.533802  0.621197  1
  Al  Al234  1  0.064761  0.033802  0.621197  1
  Al  Al235  1  0.983732  0.509754  0.676135  1
  Al  Al236  1  0.483732  0.009754  0.676135  1
  Al  Al237  1  0.904658  0.279512  0.633021  1
  Al  Al238  1  0.404658  0.779512  0.633021  1
  Al  Al239  1  0.329298  0.254271  0.682341  1
  Al  Al240  1  0.829298  0.754271  0.682341  1
  Al  Al241  1  0.611336  0.587534  0.669365  1
  Al  Al242  1  0.111336  0.087534  0.669365  1
  Al  Al243  1  0.202724  0.614580  0.615975  1
  Al  Al244  1  0.702724  0.114580  0.615975  1
  Al  Al245  1  0.740719  0.348741  0.653486  1
  Al  Al246  1  0.240719  0.848741  0.653486  1
  Al  Al247  1  0.158415  0.324234  0.705650  1
  Al  Al248  1  0.658415  0.824234  0.705650  1
  Al  Al249  1  0.460515  0.659973  0.692375  1
  Al  Al250  1  0.960515  0.159973  0.692375  1
  Al  Al251  1  0.036367  0.681609  0.640383  1
  Al  Al252  1  0.536367  0.181609  0.640383  1
  Al  Al253  1  0.801398  0.410419  0.700676  1
  Al  Al254  1  0.301398  0.910419  0.700676  1
  Al  Al255  1  0.376923  0.428020  0.650207  1
  Al  Al256  1  0.876923  0.928020  0.650207  1
