# generated using pymatgen
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94872145
_cell_length_b   36.26305788
_cell_length_c   49.52104504
_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   10682.6219113
_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  0.556490  0.700836  0.318733  1
  Sm  Sm2  1  0.739787  0.041524  0.287346  1
  Sm  Sm3  1  0.670059  0.350626  0.362198  1
  Sm  Sm4  1  0.847411  0.791946  0.349321  1
  Sm  Sm5  1  0.949985  0.142260  0.303271  1
  Sm  Sm6  1  0.882990  0.445069  0.383231  1
  Sm  Sm7  1  0.260526  0.541524  0.287346  1
  Sm  Sm8  1  0.330254  0.850626  0.362198  1
  Sm  Sm9  1  0.443823  0.200836  0.318733  1
  Sm  Sm10  1  0.050328  0.642260  0.303271  1
  Sm  Sm11  1  0.117322  0.945069  0.383231  1
  Sm  Sm12  1  0.152901  0.291946  0.349321  1
  Sm  Sm13  1  0.949548  0.758424  0.283132  1
  Sm  Sm14  1  0.905627  0.072498  0.354856  1
  Sm  Sm15  1  0.905915  0.426253  0.310746  1
  Sm  Sm16  1  0.613417  0.864302  0.298690  1
  Sm  Sm17  1  0.680990  0.165241  0.378858  1
  Sm  Sm18  1  0.658067  0.516120  0.340174  1
  Sm  Sm19  1  0.094686  0.572498  0.354856  1
  Sm  Sm20  1  0.094398  0.926253  0.310746  1
  Sm  Sm21  1  0.050764  0.258424  0.283132  1
  Sm  Sm22  1  0.319322  0.665241  0.378858  1
  Sm  Sm23  1  0.342245  0.016120  0.340174  1
  Sm  Sm24  1  0.386896  0.364302  0.298690  1
  Sm  Sm25  1  0.663928  0.650537  0.435114  1
  Sm  Sm26  1  0.668064  0.999966  0.399325  1
  Sm  Sm27  1  0.669678  0.302252  0.472320  1
  Sm  Sm28  1  0.879583  0.747777  0.460373  1
  Sm  Sm29  1  0.890791  0.096680  0.421596  1
  Sm  Sm30  1  0.881420  0.398976  0.495234  1
  Sm  Sm31  1  0.332248  0.499966  0.399325  1
  Sm  Sm32  1  0.330635  0.802252  0.472320  1
  Sm  Sm33  1  0.336385  0.150537  0.435114  1
  Sm  Sm34  1  0.109522  0.596680  0.421596  1
  Sm  Sm35  1  0.118893  0.898976  0.495234  1
  Sm  Sm36  1  0.120730  0.247777  0.460373  1
  Sm  Sm37  1  0.853740  0.720838  0.394279  1
  Sm  Sm38  1  0.882627  0.022958  0.465613  1
  Sm  Sm39  1  0.890253  0.372701  0.427112  1
  Sm  Sm40  1  0.658558  0.817871  0.414621  1
  Sm  Sm41  1  0.669352  0.119070  0.489233  1
  Sm  Sm42  1  0.672831  0.468904  0.451705  1
  Sm  Sm43  1  0.117685  0.522958  0.465613  1
  Sm  Sm44  1  0.110059  0.872701  0.427112  1
  Sm  Sm45  1  0.146573  0.220838  0.394279  1
  Sm  Sm46  1  0.330961  0.619070  0.489233  1
  Sm  Sm47  1  0.327481  0.968904  0.451705  1
  Sm  Sm48  1  0.341754  0.317871  0.414621  1
  Sm  Sm49  1  0.672546  0.602953  0.546728  1
  Sm  Sm50  1  0.668921  0.952797  0.509279  1
  Sm  Sm51  1  0.660027  0.254219  0.583509  1
  Sm  Sm52  1  0.889482  0.699432  0.571100  1
  Sm  Sm53  1  0.882972  0.048811  0.533131  1
  Sm  Sm54  1  0.855308  0.351283  0.604110  1
  Sm  Sm55  1  0.331392  0.452797  0.509279  1
  Sm  Sm56  1  0.340286  0.754219  0.583509  1
  Sm  Sm57  1  0.327766  0.102953  0.546728  1
  Sm  Sm58  1  0.117341  0.548811  0.533131  1
  Sm  Sm59  1  0.145005  0.851283  0.604110  1
  Sm  Sm60  1  0.110830  0.199432  0.571100  1
  Sm  Sm61  1  0.880719  0.673013  0.503064  1
  Sm  Sm62  1  0.890039  0.975119  0.577135  1
  Sm  Sm63  1  0.880824  0.324280  0.537904  1
  Sm  Sm64  1  0.668707  0.769792  0.525915  1
  Sm  Sm65  1  0.666805  0.071734  0.598952  1
  Sm  Sm66  1  0.664709  0.421464  0.563382  1
  Sm  Sm67  1  0.110274  0.475119  0.577135  1
  Sm  Sm68  1  0.119489  0.824280  0.537904  1
  Sm  Sm69  1  0.119593  0.173013  0.503064  1
  Sm  Sm70  1  0.333508  0.571734  0.598952  1
  Sm  Sm71  1  0.335604  0.921464  0.563382  1
  Sm  Sm72  1  0.331606  0.269792  0.525915  1
  Sm  Sm73  1  0.654101  0.555075  0.659268  1
  Sm  Sm74  1  0.679905  0.906583  0.619573  1
  Sm  Sm75  1  0.615408  0.207738  0.699440  1
  Sm  Sm76  1  0.903311  0.645365  0.687412  1
  Sm  Sm77  1  0.906947  0.999380  0.643811  1
  Sm  Sm78  1  0.952366  0.312116  0.714864  1
  Sm  Sm79  1  0.320407  0.406583  0.619573  1
  Sm  Sm80  1  0.384905  0.707738  0.699440  1
  Sm  Sm81  1  0.346212  0.055075  0.659268  1
  Sm  Sm82  1  0.093366  0.499380  0.643811  1
  Sm  Sm83  1  0.047946  0.812116  0.714864  1
  Sm  Sm84  1  0.097001  0.145365  0.687412  1
  Sm  Sm85  1  0.879970  0.626896  0.614726  1
  Sm  Sm86  1  0.941485  0.930285  0.694769  1
  Sm  Sm87  1  0.849924  0.279906  0.648641  1
  Sm  Sm88  1  0.667148  0.721260  0.635831  1
  Sm  Sm89  1  0.772677  0.033657  0.710800  1
  Sm  Sm90  1  0.561561  0.371095  0.679654  1
  Sm  Sm91  1  0.058828  0.430285  0.694769  1
  Sm  Sm92  1  0.150389  0.779906  0.648641  1
  Sm  Sm93  1  0.120342  0.126896  0.614726  1
  Sm  Sm94  1  0.227636  0.533657  0.710800  1
  Sm  Sm95  1  0.438751  0.871095  0.679654  1
  Sm  Sm96  1  0.333165  0.221260  0.635831  1
  Al  Al97  1  0.383407  0.782838  0.317588  1
  Al  Al98  1  0.465516  0.128184  0.280019  1
  Al  Al99  1  0.424938  0.431950  0.350093  1
  Al  Al100  1  0.534797  0.628184  0.280019  1
  Al  Al101  1  0.575374  0.931950  0.350093  1
  Al  Al102  1  0.616905  0.282838  0.317588  1
  Al  Al103  1  0.064535  0.715327  0.337006  1
  Al  Al104  1  0.220746  0.067892  0.294330  1
  Al  Al105  1  0.155195  0.375027  0.361719  1
  Al  Al106  1  0.779567  0.567892  0.294330  1
  Al  Al107  1  0.845118  0.875027  0.361719  1
  Al  Al108  1  0.935778  0.215327  0.337006  1
  Al  Al109  1  0.372993  0.755889  0.370058  1
  Al  Al110  1  0.454851  0.107242  0.332548  1
  Al  Al111  1  0.413956  0.457347  0.298126  1
  Al  Al112  1  0.545461  0.607242  0.332548  1
  Al  Al113  1  0.586357  0.957347  0.298126  1
  Al  Al114  1  0.627320  0.255889  0.370058  1
  Al  Al115  1  0.102409  0.839029  0.306044  1
  Al  Al116  1  0.173497  0.146171  0.365601  1
  Al  Al117  1  0.154139  0.491065  0.338642  1
  Al  Al118  1  0.826816  0.646171  0.365601  1
  Al  Al119  1  0.846174  0.991065  0.338642  1
  Al  Al120  1  0.897903  0.339029  0.306044  1
  Al  Al121  1  0.395053  0.734471  0.426147  1
  Al  Al122  1  0.415449  0.084333  0.387339  1
  Al  Al123  1  0.417349  0.385684  0.461444  1
  Al  Al124  1  0.584864  0.584333  0.387339  1
  Al  Al125  1  0.582964  0.885684  0.461444  1
  Al  Al126  1  0.605259  0.234471  0.426147  1
  Al  Al127  1  0.146747  0.676094  0.442785  1
  Al  Al128  1  0.157919  0.025598  0.403824  1
  Al  Al129  1  0.155697  0.328441  0.477911  1
  Al  Al130  1  0.842394  0.525598  0.403824  1
  Al  Al131  1  0.844615  0.828441  0.477911  1
  Al  Al132  1  0.853566  0.176094  0.442785  1
  Al  Al133  1  0.408261  0.710065  0.481190  1
  Al  Al134  1  0.413079  0.059785  0.443348  1
  Al  Al135  1  0.405668  0.408594  0.405211  1
  Al  Al136  1  0.587233  0.559785  0.443348  1
  Al  Al137  1  0.594644  0.908594  0.405211  1
  Al  Al138  1  0.592052  0.210065  0.481190  1
  Al  Al139  1  0.141293  0.792266  0.408953  1
  Al  Al140  1  0.155789  0.093513  0.482250  1
  Al  Al141  1  0.157683  0.442997  0.444757  1
  Al  Al142  1  0.844524  0.593513  0.482250  1
  Al  Al143  1  0.842629  0.942997  0.444757  1
  Al  Al144  1  0.859020  0.292266  0.408953  1
  Al  Al145  1  0.416399  0.686316  0.536813  1
  Al  Al146  1  0.413062  0.035894  0.499313  1
  Al  Al147  1  0.396810  0.337577  0.572130  1
  Al  Al148  1  0.587251  0.535894  0.499313  1
  Al  Al149  1  0.603502  0.837577  0.572130  1
  Al  Al150  1  0.583913  0.186316  0.536813  1
  Al  Al151  1  0.156970  0.628961  0.553542  1
  Al  Al152  1  0.155473  0.978310  0.516375  1
  Al  Al153  1  0.142830  0.279845  0.589267  1
  Al  Al154  1  0.844840  0.478310  0.516375  1
  Al  Al155  1  0.857483  0.779845  0.589267  1
  Al  Al156  1  0.843342  0.128961  0.553542  1
  Al  Al157  1  0.403806  0.663403  0.592983  1
  Al  Al158  1  0.412020  0.012004  0.555372  1
  Al  Al159  1  0.409133  0.361939  0.517107  1
  Al  Al160  1  0.588293  0.512004  0.555372  1
  Al  Al161  1  0.591180  0.861939  0.517107  1
  Al  Al162  1  0.596507  0.163403  0.592983  1
  Al  Al163  1  0.154741  0.743620  0.520301  1
  Al  Al164  1  0.157726  0.046070  0.595214  1
  Al  Al165  1  0.147542  0.395880  0.555573  1
  Al  Al166  1  0.842586  0.546070  0.595214  1
  Al  Al167  1  0.852771  0.895880  0.555573  1
  Al  Al168  1  0.845572  0.243620  0.520301  1
  Al  Al169  1  0.424141  0.640064  0.647987  1
  Al  Al170  1  0.416171  0.987478  0.611736  1
  Al  Al171  1  0.386743  0.289015  0.680535  1
  Al  Al172  1  0.584142  0.487478  0.611736  1
  Al  Al173  1  0.613570  0.789015  0.680535  1
  Al  Al174  1  0.576172  0.140064  0.647987  1
  Al  Al175  1  0.150962  0.581391  0.658534  1
  Al  Al176  1  0.172171  0.925858  0.632804  1
  Al  Al177  1  0.105022  0.232437  0.691718  1
  Al  Al178  1  0.828142  0.425858  0.632804  1
  Al  Al179  1  0.895290  0.732437  0.691718  1
  Al  Al180  1  0.849351  0.081391  0.658534  1
  Al  Al181  1  0.411100  0.615191  0.699964  1
  Al  Al182  1  0.456435  0.963046  0.666780  1
  Al  Al183  1  0.375657  0.316097  0.628180  1
  Al  Al184  1  0.543878  0.463046  0.666780  1
  Al  Al185  1  0.624655  0.816097  0.628180  1
  Al  Al186  1  0.589213  0.115191  0.699964  1
  Al  Al187  1  0.152391  0.696824  0.636473  1
  Al  Al188  1  0.253012  1.001338  0.705799  1
  Al  Al189  1  0.068555  0.356150  0.661353  1
  Al  Al190  1  0.747301  0.501338  0.705799  1
  Al  Al191  1  0.931758  0.856150  0.661353  1
  Al  Al192  1  0.847921  0.196824  0.636473  1
