# generated using pymatgen
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74536210
_cell_length_b   36.65620607
_cell_length_c   50.72149743
_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   'Sm96 Al96'
_cell_volume   10682.1085118
_cell_formula_units_Z   96
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  0.251059  1.001160  0.348130  1
  Sm  Sm2  1  0.251059  0.647714  0.388884  1
  Sm  Sm3  1  0.251059  0.364659  0.311351  1
  Sm  Sm4  1  0.251059  0.914252  0.301452  1
  Sm  Sm5  1  0.251059  0.560204  0.335512  1
  Sm  Sm6  1  0.251059  0.218629  0.375025  1
  Sm  Sm7  1  0.251059  0.189959  0.311686  1
  Sm  Sm8  1  0.251059  0.834232  0.351014  1
  Sm  Sm9  1  0.251059  0.484035  0.389022  1
  Sm  Sm10  1  0.251059  0.078765  0.312985  1
  Sm  Sm11  1  0.251059  0.724859  0.353198  1
  Sm  Sm12  1  0.251059  0.377827  0.389827  1
  Sm  Sm13  1  0.751059  0.966889  0.312716  1
  Sm  Sm14  1  0.751059  0.615714  0.351715  1
  Sm  Sm15  1  0.751059  0.316231  0.279220  1
  Sm  Sm16  1  0.751059  0.857959  0.312073  1
  Sm  Sm17  1  0.751059  0.507892  0.355853  1
  Sm  Sm18  1  0.751059  0.219648  0.276975  1
  Sm  Sm19  1  0.751059  0.130309  0.323838  1
  Sm  Sm20  1  0.751059  0.776438  0.365434  1
  Sm  Sm21  1  0.751059  0.472576  0.294131  1
  Sm  Sm22  1  0.751059  0.047559  0.275212  1
  Sm  Sm23  1  0.751059  0.695601  0.310018  1
  Sm  Sm24  1  0.751059  0.343203  0.353553  1
  Sm  Sm25  1  0.251059  0.949536  0.459714  1
  Sm  Sm26  1  0.251059  0.598690  0.500239  1
  Sm  Sm27  1  0.251059  0.301168  0.424127  1
  Sm  Sm28  1  0.251059  0.864741  0.413005  1
  Sm  Sm29  1  0.251059  0.513947  0.452557  1
  Sm  Sm30  1  0.251059  0.164526  0.485911  1
  Sm  Sm31  1  0.251059  0.134304  0.422331  1
  Sm  Sm32  1  0.251059  0.782334  0.461940  1
  Sm  Sm33  1  0.251059  0.431949  0.501067  1
  Sm  Sm34  1  0.251059  0.026923  0.422413  1
  Sm  Sm35  1  0.251059  0.674925  0.462692  1
  Sm  Sm36  1  0.251059  0.325542  0.499975  1
  Sm  Sm37  1  0.751059  0.914905  0.424307  1
  Sm  Sm38  1  0.751059  0.564606  0.465687  1
  Sm  Sm39  1  0.751059  0.267052  0.389153  1
  Sm  Sm40  1  0.751059  0.808415  0.426326  1
  Sm  Sm41  1  0.751059  0.458159  0.466587  1
  Sm  Sm42  1  0.751059  0.160206  0.387407  1
  Sm  Sm43  1  0.751059  0.077041  0.434749  1
  Sm  Sm44  1  0.751059  0.725688  0.474497  1
  Sm  Sm45  1  0.751059  0.427437  0.404796  1
  Sm  Sm46  1  0.751059  0.992195  0.387171  1
  Sm  Sm47  1  0.751059  0.640209  0.426884  1
  Sm  Sm48  1  0.751059  0.290718  0.464383  1
  Sm  Sm49  1  0.251059  0.899124  0.572607  1
  Sm  Sm50  1  0.251059  0.547138  0.612320  1
  Sm  Sm51  1  0.251059  0.248615  0.535107  1
  Sm  Sm52  1  0.251059  0.813645  0.524993  1
  Sm  Sm53  1  0.251059  0.462292  0.564742  1
  Sm  Sm54  1  0.251059  0.111896  0.594695  1
  Sm  Sm55  1  0.251059  0.081174  0.532904  1
  Sm  Sm56  1  0.251059  0.730918  0.573165  1
  Sm  Sm57  1  0.251059  0.379127  0.612084  1
  Sm  Sm58  1  0.251059  0.974727  0.533804  1
  Sm  Sm59  1  0.251059  0.624428  0.575184  1
  Sm  Sm60  1  0.251059  0.272280  0.610338  1
  Sm  Sm61  1  0.751059  0.864408  0.536799  1
  Sm  Sm62  1  0.751059  0.512410  0.577078  1
  Sm  Sm63  1  0.751059  0.213790  0.499516  1
  Sm  Sm64  1  0.751059  0.756999  0.537550  1
  Sm  Sm65  1  0.751059  0.405029  0.577159  1
  Sm  Sm66  1  0.751059  0.107384  0.498424  1
  Sm  Sm67  1  0.751059  0.025386  0.546934  1
  Sm  Sm68  1  0.751059  0.674592  0.586486  1
  Sm  Sm69  1  0.751059  0.374807  0.513580  1
  Sm  Sm70  1  0.751059  0.940643  0.499252  1
  Sm  Sm71  1  0.751059  0.589797  0.539777  1
  Sm  Sm72  1  0.751059  0.238165  0.575364  1
  Sm  Sm73  1  0.251059  0.843732  0.689473  1
  Sm  Sm74  1  0.251059  0.491773  0.724279  1
  Sm  Sm75  1  0.251059  0.196130  0.645938  1
  Sm  Sm76  1  0.251059  0.762895  0.634057  1
  Sm  Sm77  1  0.251059  0.409024  0.675652  1
  Sm  Sm78  1  0.251059  0.066757  0.705360  1
  Sm  Sm79  1  0.251059  0.031440  0.643638  1
  Sm  Sm80  1  0.251059  0.681374  0.687417  1
  Sm  Sm81  1  0.251059  0.319685  0.722516  1
  Sm  Sm82  1  0.251059  0.923619  0.647776  1
  Sm  Sm83  1  0.251059  0.572444  0.686775  1
  Sm  Sm84  1  0.251059  0.223101  0.720271  1
  Sm  Sm85  1  0.751059  0.814474  0.646293  1
  Sm  Sm86  1  0.751059  0.460568  0.686505  1
  Sm  Sm87  1  0.751059  0.161506  0.609664  1
  Sm  Sm88  1  0.751059  0.705101  0.648477  1
  Sm  Sm89  1  0.751059  0.349374  0.687805  1
  Sm  Sm90  1  0.751059  0.055298  0.610469  1
  Sm  Sm91  1  0.751059  0.979129  0.663978  1
  Sm  Sm92  1  0.751059  0.625081  0.698039  1
  Sm  Sm93  1  0.751059  0.320704  0.624465  1
  Sm  Sm94  1  0.751059  0.891619  0.610607  1
  Sm  Sm95  1  0.751059  0.538173  0.651360  1
  Sm  Sm96  1  0.751059  0.174674  0.688139  1
  Al  Al97  1  0.501323  0.916966  0.359255  1
  Al  Al98  1  0.505292  0.616027  0.292837  1
  Al  Al99  1  0.498992  0.271393  0.324563  1
  Al  Al100  1  0.501076  0.077187  0.375959  1
  Al  Al101  1  0.503076  0.775901  0.310564  1
  Al  Al102  1  0.508620  0.426372  0.347013  1
  Al  Al103  1  0.251059  1.000388  0.287304  1
  Al  Al104  1  0.251059  0.650383  0.328799  1
  Al  Al105  1  0.251059  0.303945  0.362916  1
  Al  Al106  1  0.251059  0.137198  0.359118  1
  Al  Al107  1  0.251059  0.831154  0.288756  1
  Al  Al108  1  0.251059  0.478423  0.322890  1
  Al  Al109  1  1.000795  0.916966  0.359255  1
  Al  Al110  1  0.996826  0.616027  0.292837  1
  Al  Al111  1  0.003126  0.271393  0.324563  1
  Al  Al112  1  1.001041  0.077187  0.375959  1
  Al  Al113  1  0.999042  0.775901  0.310564  1
  Al  Al114  1  0.993498  0.426372  0.347013  1
  Al  Al115  1  0.751059  0.858531  0.377041  1
  Al  Al116  1  0.751059  0.555748  0.306193  1
  Al  Al117  1  0.751059  0.211836  0.340598  1
  Al  Al118  1  0.751059  0.044146  0.336406  1
  Al  Al119  1  0.751059  0.691859  0.374375  1
  Al  Al120  1  0.751059  0.392855  0.304818  1
  Al  Al121  1  0.500974  0.865807  0.471552  1
  Al  Al122  1  0.498596  0.566270  0.397951  1
  Al  Al123  1  0.500080  0.217185  0.434252  1
  Al  Al124  1  0.501646  0.024425  0.487553  1
  Al  Al125  1  0.502337  0.723642  0.415955  1
  Al  Al126  1  0.501624  0.374583  0.454785  1
  Al  Al127  1  0.251059  0.949081  0.399205  1
  Al  Al128  1  0.251059  0.596868  0.439305  1
  Al  Al129  1  0.251059  0.248837  0.474617  1
  Al  Al130  1  0.251059  0.083196  0.469827  1
  Al  Al131  1  0.251059  0.783073  0.399168  1
  Al  Al132  1  0.251059  0.433413  0.437646  1
  Al  Al133  1  0.001143  0.865807  0.471552  1
  Al  Al134  1  0.003522  0.566270  0.397951  1
  Al  Al135  1  0.002038  0.217185  0.434252  1
  Al  Al136  1  1.000471  0.024425  0.487553  1
  Al  Al137  1  0.999780  0.723642  0.415955  1
  Al  Al138  1  1.000493  0.374583  0.454785  1
  Al  Al139  1  0.751059  0.807376  0.489648  1
  Al  Al140  1  0.751059  0.509385  0.418478  1
  Al  Al141  1  0.751059  0.158286  0.450930  1
  Al  Al142  1  0.751059  0.992539  0.447686  1
  Al  Al143  1  0.751059  0.642068  0.487945  1
  Al  Al144  1  0.751059  0.343252  0.414312  1
  Al  Al145  1  0.499780  0.815691  0.583536  1
  Al  Al146  1  0.500471  0.514908  0.511938  1
  Al  Al147  1  0.500493  0.164750  0.544706  1
  Al  Al148  1  0.503522  0.973063  0.601540  1
  Al  Al149  1  0.501143  0.673526  0.527939  1
  Al  Al150  1  0.502038  0.322148  0.565238  1
  Al  Al151  1  0.251059  0.897265  0.511545  1
  Al  Al152  1  0.251059  0.546794  0.551805  1
  Al  Al153  1  0.251059  0.196081  0.585179  1
  Al  Al154  1  0.251059  0.029948  0.581012  1
  Al  Al155  1  0.251059  0.731957  0.509842  1
  Al  Al156  1  0.251059  0.381047  0.548561  1
  Al  Al157  1  0.002337  0.815691  0.583536  1
  Al  Al158  1  0.001646  0.514908  0.511938  1
  Al  Al159  1  0.001624  0.164750  0.544706  1
  Al  Al160  1  0.998596  0.973063  0.601540  1
  Al  Al161  1  1.000974  0.673526  0.527939  1
  Al  Al162  1  1.000080  0.322148  0.565238  1
  Al  Al163  1  0.751059  0.756260  0.600323  1
  Al  Al164  1  0.751059  0.456137  0.529664  1
  Al  Al165  1  0.751059  0.105920  0.561844  1
  Al  Al166  1  0.751059  0.942465  0.560186  1
  Al  Al167  1  0.751059  0.590252  0.600286  1
  Al  Al168  1  0.751059  0.290496  0.524873  1
  Al  Al169  1  0.499042  0.763431  0.688927  1
  Al  Al170  1  0.501041  0.462145  0.623531  1
  Al  Al171  1  0.493498  0.112961  0.652478  1
  Al  Al172  1  0.496826  0.923305  0.706654  1
  Al  Al173  1  0.500795  0.622367  0.640236  1
  Al  Al174  1  0.503126  0.267940  0.674927  1
  Al  Al175  1  0.251059  0.847473  0.625116  1
  Al  Al176  1  0.251059  0.495187  0.663085  1
  Al  Al177  1  0.251059  0.146478  0.694673  1
  Al  Al178  1  0.251059  0.983585  0.693298  1
  Al  Al179  1  0.251059  0.680801  0.622449  1
  Al  Al180  1  0.251059  0.327497  0.658893  1
  Al  Al181  1  0.003076  0.763431  0.688927  1
  Al  Al182  1  0.001076  0.462145  0.623531  1
  Al  Al183  1  0.008620  0.112961  0.652478  1
  Al  Al184  1  0.005292  0.923305  0.706654  1
  Al  Al185  1  0.001323  0.622367  0.640236  1
  Al  Al186  1  0.998992  0.267940  0.674927  1
  Al  Al187  1  0.751059  0.708179  0.710734  1
  Al  Al188  1  0.751059  0.402135  0.640372  1
  Al  Al189  1  0.751059  0.060910  0.676601  1
  Al  Al190  1  0.751059  0.888950  0.670691  1
  Al  Al191  1  0.751059  0.538945  0.712187  1
  Al  Al192  1  0.751059  0.235388  0.636575  1
