# generated using pymatgen
data_SmAl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98805081
_cell_length_b   33.02786305
_cell_length_c   48.92834868
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.03568924
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl4
_chemical_formula_sum   'Sm42 Al168'
_cell_volume   9639.33301232
_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  0.240476  1.001414  0.281055  1
  Sm  Sm2  1  0.394255  0.310553  0.295361  1
  Sm  Sm3  1  0.556989  0.635156  0.309597  1
  Sm  Sm4  1  0.815567  0.151170  0.285144  1
  Sm  Sm5  1  0.971233  0.462778  0.307104  1
  Sm  Sm6  1  0.147076  0.815126  0.319053  1
  Sm  Sm7  1  0.733045  0.986619  0.335627  1
  Sm  Sm8  1  0.890098  0.300667  0.358082  1
  Sm  Sm9  1  0.053865  0.628938  0.369982  1
  Sm  Sm10  1  0.312174  0.145747  0.348918  1
  Sm  Sm11  1  0.469467  0.459937  0.366124  1
  Sm  Sm12  1  0.641977  0.804850  0.378938  1
  Sm  Sm13  1  0.225615  0.972214  0.397366  1
  Sm  Sm14  1  0.383951  0.288480  0.423253  1
  Sm  Sm15  1  0.551917  0.625030  0.431931  1
  Sm  Sm16  1  0.809251  0.139842  0.413954  1
  Sm  Sm17  1  0.968230  0.457500  0.428149  1
  Sm  Sm18  1  0.135813  0.792586  0.440692  1
  Sm  Sm19  1  0.719309  0.959862  0.457455  1
  Sm  Sm20  1  0.883537  0.288193  0.485485  1
  Sm  Sm21  1  0.051660  0.624683  0.494549  1
  Sm  Sm22  1  0.301066  0.123018  0.474974  1
  Sm  Sm23  1  0.464749  0.450429  0.488973  1
  Sm  Sm24  1  0.629854  0.780410  0.501012  1
  Sm  Sm25  1  0.212063  0.945381  0.518394  1
  Sm  Sm26  1  0.380412  0.281936  0.548222  1
  Sm  Sm27  1  0.547391  0.615794  0.556685  1
  Sm  Sm28  1  0.794958  0.110979  0.536998  1
  Sm  Sm29  1  0.963733  0.448752  0.551372  1
  Sm  Sm30  1  0.126694  0.774718  0.564999  1
  Sm  Sm31  1  0.704859  0.930993  0.579228  1
  Sm  Sm32  1  0.876531  0.274255  0.608942  1
  Sm  Sm33  1  0.042508  0.606088  0.620148  1
  Sm  Sm34  1  0.289329  0.099693  0.597981  1
  Sm  Sm35  1  0.463295  0.448404  0.613533  1
  Sm  Sm36  1  0.624179  0.770676  0.634603  1
  Sm  Sm37  1  0.199281  0.918542  0.638881  1
  Sm  Sm38  1  0.373314  0.267734  0.669397  1
  Sm  Sm39  1  0.541289  0.604084  0.678124  1
  Sm  Sm40  1  0.784082  0.088760  0.657838  1
  Sm  Sm41  1  0.959574  0.441445  0.674188  1
  Sm  Sm42  1  0.117401  0.755917  0.689898  1
  Al  Al43  1  0.881436  0.284712  0.294643  1
  Al  Al44  1  0.036824  0.595161  0.308814  1
  Al  Al45  1  0.214847  0.950425  0.334971  1
  Al  Al46  1  0.105495  0.235172  0.262877  1
  Al  Al47  1  0.754080  0.546439  0.279600  1
  Al  Al48  1  0.946703  0.913615  0.297399  1
  Al  Al49  1  0.608529  0.235165  0.262931  1
  Al  Al50  1  0.271426  0.546454  0.279578  1
  Al  Al51  1  0.447359  0.913802  0.297352  1
  Al  Al52  1  0.329517  0.179245  0.288511  1
  Al  Al53  1  0.483867  0.488444  0.305350  1
  Al  Al54  1  0.666690  0.854371  0.318380  1
  Al  Al55  1  0.290402  0.100360  0.277113  1
  Al  Al56  1  0.445113  0.410112  0.294623  1
  Al  Al57  1  0.627884  0.776910  0.317282  1
  Al  Al58  1  0.549515  0.077894  0.318168  1
  Al  Al59  1  0.655556  0.376462  0.336195  1
  Al  Al60  1  0.353297  0.728125  0.286649  1
  Al  Al61  1  1.007907  0.077865  0.318109  1
  Al  Al62  1  0.199753  0.376492  0.336136  1
  Al  Al63  1  0.853549  0.728112  0.286606  1
  Al  Al64  1  0.760676  0.042916  0.277483  1
  Al  Al65  1  0.921649  0.365599  0.293101  1
  Al  Al66  1  0.075805  0.672498  0.311479  1
  Al  Al67  1  0.605134  0.227208  0.321674  1
  Al  Al68  1  0.534884  0.590797  0.368230  1
  Al  Al69  1  0.707342  0.935517  0.391604  1
  Al  Al70  1  0.599019  0.220245  0.375900  1
  Al  Al71  1  0.268096  0.543373  0.336702  1
  Al  Al72  1  0.442751  0.893566  0.356157  1
  Al  Al73  1  0.099997  0.220223  0.375854  1
  Al  Al74  1  0.754172  0.543376  0.336632  1
  Al  Al75  1  0.930021  0.893620  0.356066  1
  Al  Al76  1  0.101109  0.227217  0.321634  1
  Al  Al77  1  0.987714  0.496512  0.367641  1
  Al  Al78  1  0.160664  0.842354  0.382744  1
  Al  Al79  1  0.812074  0.145619  0.348997  1
  Al  Al80  1  0.948557  0.418705  0.367513  1
  Al  Al81  1  0.122727  0.766590  0.375565  1
  Al  Al82  1  1.003373  0.070492  0.374693  1
  Al  Al83  1  0.192970  0.367581  0.392874  1
  Al  Al84  1  0.848312  0.720725  0.343457  1
  Al  Al85  1  0.546394  0.070546  0.374675  1
  Al  Al86  1  0.653665  0.367587  0.392848  1
  Al  Al87  1  0.351333  0.720773  0.343381  1
  Al  Al88  1  0.253803  0.027389  0.344009  1
  Al  Al89  1  0.390448  0.301240  0.358963  1
  Al  Al90  1  0.573055  0.667310  0.370808  1
  Al  Al91  1  0.860964  0.242394  0.417431  1
  Al  Al92  1  0.032244  0.585721  0.432012  1
  Al  Al93  1  0.200922  0.922589  0.453523  1
  Al  Al94  1  0.095055  0.209323  0.455053  1
  Al  Al95  1  0.759503  0.542947  0.398893  1
  Al  Al96  1  0.933244  0.883031  0.417816  1
  Al  Al97  1  0.593344  0.209346  0.454961  1
  Al  Al98  1  0.262244  0.542976  0.398789  1
  Al  Al99  1  0.428941  0.883051  0.417726  1
  Al  Al100  1  0.332358  0.186229  0.413953  1
  Al  Al101  1  0.486549  0.494524  0.429232  1
  Al  Al102  1  0.655400  0.831516  0.444014  1
  Al  Al103  1  0.293732  0.108375  0.410345  1
  Al  Al104  1  0.448454  0.417988  0.424546  1
  Al  Al105  1  0.617884  0.756595  0.435307  1
  Al  Al106  1  0.507206  0.050129  0.433824  1
  Al  Al107  1  0.683176  0.370248  0.453352  1
  Al  Al108  1  0.344531  0.713321  0.402461  1
  Al  Al109  1  0.021863  0.050241  0.433680  1
  Al  Al110  1  0.166154  0.370217  0.453219  1
  Al  Al111  1  0.847673  0.713349  0.402374  1
  Al  Al112  1  0.745244  1.011539  0.399049  1
  Al  Al113  1  0.899421  0.319760  0.422969  1
  Al  Al114  1  0.070157  0.661746  0.430214  1
  Al  Al115  1  0.366168  0.253308  0.487205  1
  Al  Al116  1  0.534398  0.589738  0.492839  1
  Al  Al117  1  0.692271  0.906171  0.515102  1
  Al  Al118  1  0.588042  0.200740  0.514033  1
  Al  Al119  1  0.263692  0.539555  0.462242  1
  Al  Al120  1  0.420390  0.869262  0.479426  1
  Al  Al121  1  0.091700  0.200783  0.513956  1
  Al  Al122  1  0.754719  0.539530  0.462149  1
  Al  Al123  1  0.927873  0.869358  0.479352  1
  Al  Al124  1  0.818440  0.157729  0.481145  1
  Al  Al125  1  0.983889  0.488678  0.490538  1
  Al  Al126  1  0.146844  0.814578  0.504652  1
  Al  Al127  1  0.781417  0.083630  0.470137  1
  Al  Al128  1  0.945875  0.411912  0.488176  1
  Al  Al129  1  0.108163  0.736357  0.500079  1
  Al  Al130  1  1.007999  0.034651  0.498276  1
  Al  Al131  1  0.171731  0.367533  0.520653  1
  Al  Al132  1  0.839797  0.705082  0.462449  1
  Al  Al133  1  0.505390  0.034688  0.498117  1
  Al  Al134  1  0.674839  0.367607  0.520517  1
  Al  Al135  1  0.344205  0.705114  0.462287  1
  Al  Al136  1  0.238133  0.998339  0.461668  1
  Al  Al137  1  0.404118  0.329375  0.485871  1
  Al  Al138  1  0.572255  0.666820  0.498281  1
  Al  Al139  1  0.861008  0.243172  0.546861  1
  Al  Al140  1  0.030926  0.582507  0.553120  1
  Al  Al141  1  0.184611  0.891248  0.572851  1
  Al  Al142  1  0.084577  0.191416  0.574718  1
  Al  Al143  1  0.757308  0.536768  0.520950  1
  Al  Al144  1  0.892362  0.849499  0.540938  1
  Al  Al145  1  0.585780  0.191446  0.574638  1
  Al  Al146  1  0.258455  0.536793  0.520872  1
  Al  Al147  1  0.435994  0.849495  0.540949  1
  Al  Al148  1  0.313927  0.148888  0.540905  1
  Al  Al149  1  0.482580  0.486630  0.549411  1
  Al  Al150  1  0.429763  0.840237  0.597830  1
  Al  Al151  1  0.276418  0.073627  0.533541  1
  Al  Al152  1  0.444902  0.410935  0.552931  1
  Al  Al153  1  0.626209  0.773790  0.567922  1
  Al  Al154  1  0.502638  0.021282  0.559375  1
  Al  Al155  1  0.670350  0.362752  0.582705  1
  Al  Al156  1  0.368772  0.706196  0.536526  1
  Al  Al157  1  0.997546  0.021319  0.559284  1
  Al  Al158  1  0.171067  0.362767  0.582613  1
  Al  Al159  1  0.817058  0.706125  0.536382  1
  Al  Al160  1  0.730096  0.981708  0.523333  1
  Al  Al161  1  0.898801  0.319129  0.549902  1
  Al  Al162  1  0.068798  0.657663  0.562180  1
  Al  Al163  1  0.357504  0.236129  0.607556  1
  Al  Al164  1  0.523002  0.566128  0.616958  1
  Al  Al165  1  0.697074  0.916388  0.689728  1
  Al  Al166  1  0.580767  0.182674  0.634414  1
  Al  Al167  1  0.250999  0.530786  0.581093  1
  Al  Al168  1  0.675012  0.869450  0.639917  1
  Al  Al169  1  0.080968  0.182690  0.634341  1
  Al  Al170  1  0.758496  0.530855  0.580898  1
  Al  Al171  1  0.888535  0.840180  0.597698  1
  Al  Al172  1  0.808462  0.137921  0.601314  1
  Al  Al173  1  0.982574  0.488310  0.614399  1
  Al  Al174  1  0.149555  0.822591  0.639521  1
  Al  Al175  1  0.770381  0.061726  0.594847  1
  Al  Al176  1  0.944763  0.411032  0.612601  1
  Al  Al177  1  0.112125  0.746271  0.626002  1
  Al  Al178  1  0.998656  1.008572  0.620196  1
  Al  Al179  1  0.174686  0.361483  0.642574  1
  Al  Al180  1  0.821276  0.701640  0.593267  1
  Al  Al181  1  0.489131  1.008583  0.620110  1
  Al  Al182  1  0.665445  0.361489  0.642510  1
  Al  Al183  1  0.359024  0.701677  0.593296  1
  Al  Al184  1  0.222935  0.967072  0.583793  1
  Al  Al185  1  0.395638  0.312575  0.611861  1
  Al  Al186  1  0.561334  0.643786  0.618183  1
  Al  Al187  1  0.854758  0.230623  0.667082  1
  Al  Al188  1  0.024563  0.569238  0.685022  1
  Al  Al189  1  0.199552  0.921096  0.701285  1
  Al  Al190  1  0.076906  0.174337  0.691172  1
  Al  Al191  1  0.751487  0.524155  0.651180  1
  Al  Al192  1  0.927833  0.848360  0.683244  1
  Al  Al193  1  0.576728  0.174344  0.691135  1
  Al  Al194  1  0.251172  0.524155  0.650907  1
  Al  Al195  1  0.399290  0.848345  0.683018  1
  Al  Al196  1  0.302806  0.126178  0.660020  1
  Al  Al197  1  0.484125  0.492177  0.690438  1
  Al  Al198  1  0.632369  0.786152  0.698630  1
  Al  Al199  1  0.264031  0.048627  0.657287  1
  Al  Al200  1  0.446707  0.415301  0.673399  1
  Al  Al201  1  0.592260  0.704385  0.693687  1
  Al  Al202  1  0.487490  0.989294  0.678344  1
  Al  Al203  1  0.658307  0.356775  0.699372  1
  Al  Al204  1  0.322745  0.686340  0.651012  1
  Al  Al205  1  0.980651  0.989408  0.678305  1
  Al  Al206  1  0.176953  0.356777  0.699356  1
  Al  Al207  1  0.842228  0.686380  0.650888  1
  Al  Al208  1  0.714564  0.949304  0.640063  1
  Al  Al209  1  0.893615  0.308136  0.669936  1
  Al  Al210  1  0.064225  0.651361  0.690381  1
