# generated using pymatgen
data_Sm3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   29.96638889
_cell_length_b   17.54230627
_cell_length_c   49.75596123
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   51.14390573
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Al
_chemical_formula_sum   'Sm252 Al84'
_cell_volume   20368.0687504
_cell_formula_units_Z   84
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  0.405018  0.580332  0.264958  1
  Sm  Sm2  1  0.001938  0.588242  0.295692  1
  Sm  Sm3  1  0.403667  0.139808  0.263332  1
  Sm  Sm4  1  0.710839  0.241501  0.255181  1
  Sm  Sm5  1  0.004071  0.087263  0.294159  1
  Sm  Sm6  1  0.718832  0.728869  0.259528  1
  Sm  Sm7  1  0.247122  0.681421  0.259356  1
  Sm  Sm8  1  0.880855  0.637894  0.264992  1
  Sm  Sm9  1  0.251648  0.212572  0.261673  1
  Sm  Sm10  1  0.521326  0.598703  0.258635  1
  Sm  Sm11  1  0.879408  0.139466  0.264877  1
  Sm  Sm12  1  0.550890  0.969414  0.262800  1
  Sm  Sm13  1  0.218297  0.042136  0.269028  1
  Sm  Sm14  1  0.824585  0.032467  0.300649  1
  Sm  Sm15  1  0.202951  0.542144  0.269024  1
  Sm  Sm16  1  0.596226  0.706822  0.266653  1
  Sm  Sm17  1  0.831662  0.524988  0.301273  1
  Sm  Sm18  1  0.598655  0.161774  0.254064  1
  Sm  Sm19  1  0.201452  0.208780  0.331912  1
  Sm  Sm20  1  0.937040  0.827985  0.263239  1
  Sm  Sm21  1  0.196459  0.702767  0.331579  1
  Sm  Sm22  1  0.618172  0.844447  0.322545  1
  Sm  Sm23  1  0.941066  0.322555  0.263638  1
  Sm  Sm24  1  0.580109  0.353393  0.292312  1
  Sm  Sm25  1  0.408608  0.921159  0.259765  1
  Sm  Sm26  1  0.079937  0.827922  0.269463  1
  Sm  Sm27  1  0.368360  0.394597  0.254048  1
  Sm  Sm28  1  0.746643  0.790039  0.325436  1
  Sm  Sm29  1  0.083303  0.326131  0.270298  1
  Sm  Sm30  1  0.745958  0.287548  0.320096  1
  Sm  Sm31  1  0.375451  0.805039  0.306023  1
  Sm  Sm32  1  0.130176  0.454510  0.231575  1
  Sm  Sm33  1  0.385316  0.296041  0.322232  1
  Sm  Sm34  1  0.752217  0.443675  0.271940  1
  Sm  Sm35  1  0.148075  0.936541  0.234233  1
  Sm  Sm36  1  0.758817  0.936851  0.268403  1
  Sm  Sm37  1  0.243899  0.943202  0.336571  1
  Sm  Sm38  1  0.929848  0.846122  0.347739  1
  Sm  Sm39  1  0.242081  0.431688  0.339138  1
  Sm  Sm40  1  0.617918  0.602181  0.328395  1
  Sm  Sm41  1  0.930932  0.345506  0.349398  1
  Sm  Sm42  1  0.597380  0.120810  0.318748  1
  Sm  Sm43  1  0.150775  0.922159  0.303387  1
  Sm  Sm44  1  0.774894  0.938556  0.350129  1
  Sm  Sm45  1  0.149367  0.427660  0.303209  1
  Sm  Sm46  1  0.469966  0.767981  0.371514  1
  Sm  Sm47  1  0.778937  0.426047  0.353226  1
  Sm  Sm48  1  0.472132  0.269484  0.379052  1
  Sm  Sm49  1  0.054926  0.374678  0.350860  1
  Sm  Sm50  1  0.774264  0.259752  0.395215  1
  Sm  Sm51  1  0.054647  0.873962  0.350482  1
  Sm  Sm52  1  0.470658  0.917394  0.317164  1
  Sm  Sm53  1  0.764991  0.772645  0.396066  1
  Sm  Sm54  1  0.452817  0.389642  0.313833  1
  Sm  Sm55  1  0.133947  0.454923  0.376394  1
  Sm  Sm56  1  0.892185  0.128133  0.339398  1
  Sm  Sm57  1  0.138576  0.951234  0.374090  1
  Sm  Sm58  1  0.501420  0.069215  0.340256  1
  Sm  Sm59  1  0.891575  0.628018  0.340072  1
  Sm  Sm60  1  0.486535  0.571925  0.332810  1
  Sm  Sm61  1  0.338676  0.157580  0.324857  1
  Sm  Sm62  1  0.001891  0.109790  0.363813  1
  Sm  Sm63  1  0.326608  0.667366  0.323780  1
  Sm  Sm64  1  0.632552  0.047601  0.379451  1
  Sm  Sm65  1  0.997213  0.616867  0.366336  1
  Sm  Sm66  1  0.624634  0.496748  0.387276  1
  Sm  Sm67  1  0.324893  0.016518  0.375052  1
  Sm  Sm68  1  0.076013  0.678046  0.324068  1
  Sm  Sm69  1  0.318676  0.510446  0.374979  1
  Sm  Sm70  1  0.702699  0.654737  0.377353  1
  Sm  Sm71  1  0.080004  0.176383  0.322857  1
  Sm  Sm72  1  0.696562  0.187382  0.365458  1
  Sm  Sm73  1  0.182010  0.229041  0.414959  1
  Sm  Sm74  1  0.773358  0.157124  0.450653  1
  Sm  Sm75  1  0.185248  0.726690  0.414786  1
  Sm  Sm76  1  0.557096  0.813962  0.381802  1
  Sm  Sm77  1  0.764323  0.681833  0.454894  1
  Sm  Sm78  1  0.551234  0.345472  0.369098  1
  Sm  Sm79  1  0.050452  0.228003  0.406026  1
  Sm  Sm80  1  0.624200  0.296522  0.430049  1
  Sm  Sm81  1  0.051143  0.727150  0.407397  1
  Sm  Sm82  1  0.305490  0.191005  0.434617  1
  Sm  Sm83  1  0.627129  0.807556  0.441394  1
  Sm  Sm84  1  0.314961  0.685443  0.429798  1
  Sm  Sm85  1  0.977715  0.639635  0.433104  1
  Sm  Sm86  1  0.563399  0.684778  0.441301  1
  Sm  Sm87  1  0.979467  0.140298  0.430863  1
  Sm  Sm88  1  0.370370  0.234828  0.391480  1
  Sm  Sm89  1  0.566943  0.173239  0.444539  1
  Sm  Sm90  1  0.359667  0.768089  0.382982  1
  Sm  Sm91  1  0.927050  0.859440  0.475274  1
  Sm  Sm92  1  0.707521  0.530436  0.431839  1
  Sm  Sm93  1  0.926938  0.358544  0.473598  1
  Sm  Sm94  1  0.322780  0.456561  0.444975  1
  Sm  Sm95  1  0.721882  0.026162  0.427947  1
  Sm  Sm96  1  0.318472  0.962906  0.446219  1
  Sm  Sm97  1  0.227744  0.446109  0.413106  1
  Sm  Sm98  1  0.848028  0.444403  0.414707  1
  Sm  Sm99  1  0.226944  0.950771  0.411947  1
  Sm  Sm100  1  0.453121  0.435165  0.432718  1
  Sm  Sm101  1  0.860045  0.929941  0.412876  1
  Sm  Sm102  1  0.447707  0.949834  0.433551  1
  Sm  Sm103  1  0.130197  0.450417  0.456310  1
  Sm  Sm104  1  0.931103  0.014361  0.403653  1
  Sm  Sm105  1  0.132534  0.950874  0.455266  1
  Sm  Sm106  1  0.515238  0.043171  0.416094  1
  Sm  Sm107  1  0.925421  0.519766  0.404852  1
  Sm  Sm108  1  0.492013  0.564756  0.410976  1
  Sm  Sm109  1  0.990538  0.608619  0.506205  1
  Sm  Sm110  1  0.703614  0.439754  0.499555  1
  Sm  Sm111  1  0.994825  0.106057  0.503565  1
  Sm  Sm112  1  0.402149  0.174447  0.473080  1
  Sm  Sm113  1  0.698367  0.936766  0.496480  1
  Sm  Sm114  1  0.404939  0.675226  0.469921  1
  Sm  Sm115  1  0.902602  0.567442  0.471077  1
  Sm  Sm116  1  0.563328  0.520788  0.472446  1
  Sm  Sm117  1  0.908614  0.064240  0.468967  1
  Sm  Sm118  1  0.168211  0.462943  0.525613  1
  Sm  Sm119  1  0.552678  0.030876  0.486036  1
  Sm  Sm120  1  0.172645  0.958355  0.525082  1
  Sm  Sm121  1  0.785606  0.006008  0.496538  1
  Sm  Sm122  1  0.396703  0.030200  0.543050  1
  Sm  Sm123  1  0.784335  0.512516  0.498101  1
  Sm  Sm124  1  0.171099  0.608593  0.469478  1
  Sm  Sm125  1  0.395655  0.528046  0.541935  1
  Sm  Sm126  1  0.170474  0.111206  0.469882  1
  Sm  Sm127  1  0.824191  0.150235  0.520814  1
  Sm  Sm128  1  0.522664  0.884350  0.494448  1
  Sm  Sm129  1  0.821610  0.649467  0.523932  1
  Sm  Sm130  1  0.236022  0.715889  0.487711  1
  Sm  Sm131  1  0.527893  0.387364  0.497355  1
  Sm  Sm132  1  0.231332  0.218832  0.490349  1
  Sm  Sm133  1  0.058076  0.862006  0.468293  1
  Sm  Sm134  1  0.663205  0.802774  0.521503  1
  Sm  Sm135  1  0.053864  0.366075  0.468846  1
  Sm  Sm136  1  0.324139  0.756290  0.522888  1
  Sm  Sm137  1  0.673664  0.293120  0.507864  1
  Sm  Sm138  1  0.317464  0.260826  0.524878  1
  Sm  Sm139  1  0.055244  0.716383  0.524436  1
  Sm  Sm140  1  0.829444  0.294787  0.450862  1
  Sm  Sm141  1  0.055717  0.213433  0.524031  1
  Sm  Sm142  1  0.440700  0.318487  0.497396  1
  Sm  Sm143  1  0.831458  0.795591  0.452094  1
  Sm  Sm144  1  0.441417  0.812849  0.495640  1
  Sm  Sm145  1  0.903527  0.868367  0.548951  1
  Sm  Sm146  1  0.518391  0.794564  0.562033  1
  Sm  Sm147  1  0.907460  0.362733  0.547700  1
  Sm  Sm148  1  0.299320  0.465364  0.518636  1
  Sm  Sm149  1  0.504792  0.296208  0.566256  1
  Sm  Sm150  1  0.299322  0.965892  0.520343  1
  Sm  Sm151  1  0.773181  0.889557  0.561115  1
  Sm  Sm152  1  0.378096  0.880597  0.579243  1
  Sm  Sm153  1  0.778678  0.374925  0.560430  1
  Sm  Sm154  1  0.998612  0.878799  0.580779  1
  Sm  Sm155  1  0.366262  0.394775  0.581040  1
  Sm  Sm156  1  0.999435  0.373800  0.581984  1
  Sm  Sm157  1  0.711064  0.281426  0.577877  1
  Sm  Sm158  1  0.295260  0.310339  0.590256  1
  Sm  Sm159  1  0.734234  0.760229  0.582891  1
  Sm  Sm160  1  0.096177  0.874459  0.537572  1
  Sm  Sm161  1  0.300908  0.805082  0.589063  1
  Sm  Sm162  1  0.093809  0.373789  0.538672  1
  Sm  Sm163  1  0.669529  0.510287  0.612303  1
  Sm  Sm164  1  0.452911  0.167089  0.543210  1
  Sm  Sm165  1  0.674978  0.979768  0.624709  1
  Sm  Sm166  1  0.044260  0.095776  0.578954  1
  Sm  Sm167  1  0.462189  0.643227  0.538955  1
  Sm  Sm168  1  0.041156  0.598091  0.579104  1
  Sm  Sm169  1  0.920758  0.134123  0.559314  1
  Sm  Sm170  1  0.602355  0.027099  0.563784  1
  Sm  Sm171  1  0.911514  0.639161  0.564119  1
  Sm  Sm172  1  0.175861  0.096769  0.587889  1
  Sm  Sm173  1  0.599514  0.515260  0.552845  1
  Sm  Sm174  1  0.175256  0.597624  0.586510  1
  Sm  Sm175  1  0.856054  0.089721  0.602399  1
  Sm  Sm176  1  0.662157  0.639769  0.552828  1
  Sm  Sm177  1  0.866538  0.556973  0.610797  1
  Sm  Sm178  1  0.248855  0.684857  0.560830  1
  Sm  Sm179  1  0.659130  0.151648  0.549435  1
  Sm  Sm180  1  0.246777  0.184460  0.563019  1
  Sm  Sm181  1  0.725011  0.255559  0.653814  1
  Sm  Sm182  1  0.334193  0.196682  0.654534  1
  Sm  Sm183  1  0.739817  0.753059  0.661039  1
  Sm  Sm184  1  0.092432  0.869842  0.617548  1
  Sm  Sm185  1  0.334864  0.696876  0.653851  1
  Sm  Sm186  1  0.087892  0.373377  0.619766  1
  Sm  Sm187  1  0.593843  0.277889  0.614403  1
  Sm  Sm188  1  0.224542  0.214900  0.630088  1
  Sm  Sm189  1  0.601701  0.827959  0.606649  1
  Sm  Sm190  1  0.887884  0.166960  0.669078  1
  Sm  Sm191  1  0.229227  0.707969  0.627609  1
  Sm  Sm192  1  0.899691  0.657555  0.670045  1
  Sm  Sm193  1  0.523978  0.670224  0.616469  1
  Sm  Sm194  1  0.150350  0.646745  0.669835  1
  Sm  Sm195  1  0.529895  0.137318  0.628585  1
  Sm  Sm196  1  0.901507  0.308226  0.618870  1
  Sm  Sm197  1  0.146360  0.148413  0.671044  1
  Sm  Sm198  1  0.907686  0.814280  0.618911  1
  Sm  Sm199  1  0.608465  0.722807  0.665568  1
  Sm  Sm200  1  0.296467  0.478712  0.646165  1
  Sm  Sm201  1  0.628887  0.204163  0.675163  1
  Sm  Sm202  1  0.982457  0.381673  0.657298  1
  Sm  Sm203  1  0.295436  0.979326  0.644539  1
  Sm  Sm204  1  0.984320  0.892980  0.654758  1
  Sm  Sm205  1  0.756482  0.556720  0.622270  1
  Sm  Sm206  1  0.451540  0.386306  0.643754  1
  Sm  Sm207  1  0.754295  0.055348  0.614864  1
  Sm  Sm208  1  0.075542  0.402728  0.690503  1
  Sm  Sm209  1  0.447344  0.898931  0.640725  1
  Sm  Sm210  1  0.076959  0.897187  0.690716  1
  Sm  Sm211  1  0.755949  0.407256  0.676776  1
  Sm  Sm212  1  0.452198  0.065241  0.598723  1
  Sm  Sm213  1  0.773447  0.935460  0.680023  1
  Sm  Sm214  1  0.171436  0.950158  0.643070  1
  Sm  Sm215  1  0.461184  0.552664  0.597820  1
  Sm  Sm216  1  0.171710  0.450872  0.643397  1
  Sm  Sm217  1  0.608411  0.480672  0.671698  1
  Sm  Sm218  1  0.289295  0.496931  0.730667  1
  Sm  Sm219  1  0.646250  0.971541  0.701569  1
  Sm  Sm220  1  0.024912  0.116059  0.662016  1
  Sm  Sm221  1  0.285208  1.002440  0.730306  1
  Sm  Sm222  1  0.029881  0.621974  0.662308  1
  Sm  Sm223  1  0.479985  0.534728  0.668405  1
  Sm  Sm224  1  0.146430  0.496822  0.724446  1
  Sm  Sm225  1  0.480448  0.037397  0.673820  1
  Sm  Sm226  1  0.817810  0.403781  0.734159  1
  Sm  Sm227  1  0.142995  0.998795  0.723621  1
  Sm  Sm228  1  0.858075  0.930202  0.739864  1
  Sm  Sm229  1  0.474035  0.881426  0.721979  1
  Sm  Sm230  1  0.096056  0.870386  0.762315  1
  Sm  Sm231  1  0.467533  0.388229  0.725447  1
  Sm  Sm232  1  0.850959  0.519833  0.687816  1
  Sm  Sm233  1  0.078251  0.388321  0.759656  1
  Sm  Sm234  1  0.841217  0.028582  0.671707  1
  Sm  Sm235  1  0.515291  0.083881  0.738732  1
  Sm  Sm236  1  0.224388  0.736645  0.698230  1
  Sm  Sm237  1  0.507537  0.596101  0.734385  1
  Sm  Sm238  1  0.821338  0.744673  0.728875  1
  Sm  Sm239  1  0.222253  0.237621  0.699747  1
  Sm  Sm240  1  0.822817  0.184954  0.730594  1
  Sm  Sm241  1  0.705273  0.725817  0.735188  1
  Sm  Sm242  1  0.345544  0.686914  0.728912  1
  Sm  Sm243  1  0.675606  0.355285  0.731268  1
  Sm  Sm244  1  0.979228  0.643347  0.734543  1
  Sm  Sm245  1  0.346821  0.185639  0.729043  1
  Sm  Sm246  1  0.974702  0.112612  0.732302  1
  Sm  Sm247  1  0.630197  0.618175  0.727315  1
  Sm  Sm248  1  0.401756  0.292560  0.693243  1
  Sm  Sm249  1  0.627671  0.163162  0.739815  1
  Sm  Sm250  1  0.008011  0.282863  0.724858  1
  Sm  Sm251  1  0.394626  0.800033  0.692714  1
  Sm  Sm252  1  0.023409  0.782484  0.724849  1
  Al  Al253  1  0.273748  0.820760  0.276768  1
  Al  Al254  1  0.867610  0.798135  0.306120  1
  Al  Al255  1  0.290813  0.331118  0.283773  1
  Al  Al256  1  0.642223  0.452014  0.284395  1
  Al  Al257  1  0.867976  0.299624  0.306162  1
  Al  Al258  1  0.657531  0.939972  0.282152  1
  Al  Al259  1  0.311701  0.023452  0.307118  1
  Al  Al260  1  0.071273  0.644673  0.265033  1
  Al  Al261  1  0.305704  0.513704  0.307194  1
  Al  Al262  1  0.707897  0.626659  0.312004  1
  Al  Al263  1  0.082234  0.134146  0.264518  1
  Al  Al264  1  0.695158  0.135846  0.303564  1
  Al  Al265  1  0.160882  0.128076  0.371644  1
  Al  Al266  1  0.826436  0.064075  0.362578  1
  Al  Al267  1  0.160912  0.623077  0.373053  1
  Al  Al268  1  0.497875  0.726754  0.305763  1
  Al  Al269  1  0.823161  0.568651  0.362268  1
  Al  Al270  1  0.488697  0.191210  0.282675  1
  Al  Al271  1  0.259596  0.255599  0.375755  1
  Al  Al272  1  0.965116  0.933585  0.303624  1
  Al  Al273  1  0.258388  0.755635  0.374322  1
  Al  Al274  1  0.630180  0.881476  0.382338  1
  Al  Al275  1  0.967617  0.431356  0.303991  1
  Al  Al276  1  0.621014  0.407657  0.336877  1
  Al  Al277  1  0.056168  0.423609  0.410285  1
  Al  Al278  1  0.686747  0.382304  0.444771  1
  Al  Al279  1  0.060531  0.921735  0.409546  1
  Al  Al280  1  0.429797  0.015683  0.374241  1
  Al  Al281  1  0.658043  0.939537  0.435633  1
  Al  Al282  1  0.414655  0.533170  0.372692  1
  Al  Al283  1  0.049946  0.673521  0.466703  1
  Al  Al284  1  0.880575  0.252989  0.388565  1
  Al  Al285  1  0.050185  0.175820  0.465273  1
  Al  Al286  1  0.442319  0.259332  0.437175  1
  Al  Al287  1  0.873863  0.757342  0.388549  1
  Al  Al288  1  0.436611  0.775690  0.432010  1
  Al  Al289  1  0.857931  0.783300  0.511634  1
  Al  Al290  1  0.571223  0.661216  0.508706  1
  Al  Al291  1  0.860059  0.284503  0.509250  1
  Al  Al292  1  0.258339  0.375594  0.473538  1
  Al  Al293  1  0.570678  0.166091  0.512040  1
  Al  Al294  1  0.260439  0.873314  0.472167  1
  Al  Al295  1  0.967946  0.949363  0.520344  1
  Al  Al296  1  0.654319  0.662650  0.485511  1
  Al  Al297  1  0.966105  0.451151  0.521799  1
  Al  Al298  1  0.368675  0.541278  0.482371  1
  Al  Al299  1  0.655623  0.157950  0.481915  1
  Al  Al300  1  0.366022  0.040636  0.484665  1
  Al  Al301  1  0.783844  0.065575  0.556675  1
  Al  Al302  1  0.345881  0.071822  0.605317  1
  Al  Al303  1  0.788879  0.550221  0.561576  1
  Al  Al304  1  0.176447  0.651334  0.527228  1
  Al  Al305  1  0.352504  0.567450  0.605398  1
  Al  Al306  1  0.176072  0.148857  0.528623  1
  Al  Al307  1  0.796793  0.308612  0.619687  1
  Al  Al308  1  0.539576  0.941992  0.549141  1
  Al  Al309  1  0.811574  0.791972  0.621169  1
  Al  Al310  1  0.170150  0.901116  0.583658  1
  Al  Al311  1  0.566504  0.385990  0.557932  1
  Al  Al312  1  0.165902  0.402990  0.584340  1
  Al  Al313  1  0.596045  0.443728  0.612043  1
  Al  Al314  1  0.261206  0.391374  0.690269  1
  Al  Al315  1  0.605384  0.917046  0.657038  1
  Al  Al316  1  0.966773  0.069112  0.618153  1
  Al  Al317  1  0.258706  0.893534  0.689944  1
  Al  Al318  1  0.968081  0.568889  0.619580  1
  Al  Al319  1  0.728605  0.597978  0.688048  1
  Al  Al320  1  0.399937  0.260830  0.631334  1
  Al  Al321  1  0.737723  0.133564  0.711272  1
  Al  Al322  1  0.065453  0.196677  0.622281  1
  Al  Al323  1  0.403503  0.756025  0.631699  1
  Al  Al324  1  0.065454  0.701665  0.620835  1
  Al  Al325  1  0.518369  0.698483  0.681860  1
  Al  Al326  1  0.155072  0.680183  0.728866  1
  Al  Al327  1  0.531174  0.189253  0.690361  1
  Al  Al328  1  0.914660  0.301409  0.686776  1
  Al  Al329  1  0.144074  0.190729  0.729376  1
  Al  Al330  1  0.920598  0.810976  0.686712  1
  Al  Al331  1  0.584149  0.872976  0.709618  1
  Al  Al332  1  0.358671  0.526834  0.687762  1
  Al  Al333  1  0.568941  0.384903  0.711791  1
  Al  Al334  1  0.952561  0.504191  0.717084  1
  Al  Al335  1  0.358278  0.025395  0.687768  1
  Al  Al336  1  0.935764  0.993619  0.710180  1
