# generated using pymatgen
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.54829057
_cell_length_b   18.13234692
_cell_length_c   51.00813576
_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   10680.9817707
_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  0.492411  0.539320  0.281595  1
  Sm  Sm2  1  0.493366  0.932497  0.358357  1
  Sm  Sm3  1  0.504177  0.232339  0.315727  1
  Sm  Sm4  1  0.165987  0.609202  0.369589  1
  Sm  Sm5  1  0.168007  0.907517  0.335892  1
  Sm  Sm6  1  0.161822  0.205464  0.295057  1
  Sm  Sm7  1  0.985968  0.579485  0.314260  1
  Sm  Sm8  1  0.987914  0.865548  0.280657  1
  Sm  Sm9  1  0.991786  0.273540  0.356295  1
  Sm  Sm10  1  0.665873  0.598941  0.345945  1
  Sm  Sm11  1  0.668907  0.907484  0.303891  1
  Sm  Sm12  1  0.669868  0.294483  0.381980  1
  Sm  Sm13  1  0.329201  0.371011  0.278365  1
  Sm  Sm14  1  0.334431  0.758274  0.353111  1
  Sm  Sm15  1  0.345516  0.057026  0.314820  1
  Sm  Sm16  1  0.008350  0.391082  0.298581  1
  Sm  Sm17  1  0.014532  0.785028  0.376760  1
  Sm  Sm18  1  0.017459  0.086228  0.340065  1
  Sm  Sm19  1  0.839602  0.448781  0.363891  1
  Sm  Sm20  1  0.829123  0.753844  0.326293  1
  Sm  Sm21  1  0.835198  0.070073  0.287097  1
  Sm  Sm22  1  0.514358  0.421704  0.338566  1
  Sm  Sm23  1  0.509356  0.729537  0.297932  1
  Sm  Sm24  1  0.518007  0.122427  0.375247  1
  Sm  Sm25  1  0.487081  0.633723  0.395761  1
  Sm  Sm26  1  0.491049  0.037885  0.468630  1
  Sm  Sm27  1  0.489425  0.335720  0.430556  1
  Sm  Sm28  1  0.168848  0.715381  0.481566  1
  Sm  Sm29  1  0.170678  0.015239  0.444491  1
  Sm  Sm30  1  0.172251  0.312252  0.406283  1
  Sm  Sm31  1  0.988654  0.669878  0.430984  1
  Sm  Sm32  1  0.989929  0.970864  0.394282  1
  Sm  Sm33  1  0.991320  0.372164  0.468525  1
  Sm  Sm34  1  0.669326  0.694565  0.455434  1
  Sm  Sm35  1  0.670552  0.993808  0.418437  1
  Sm  Sm36  1  0.670813  0.395798  0.492160  1
  Sm  Sm37  1  0.335704  0.461902  0.388615  1
  Sm  Sm38  1  0.337343  0.865312  0.463228  1
  Sm  Sm39  1  0.339940  0.164354  0.425571  1
  Sm  Sm40  1  0.019516  0.483912  0.413410  1
  Sm  Sm41  1  0.017272  0.888586  0.487192  1
  Sm  Sm42  1  0.019988  0.187494  0.450250  1
  Sm  Sm43  1  0.837748  0.545480  0.473953  1
  Sm  Sm44  1  0.836901  0.843974  0.436960  1
  Sm  Sm45  1  0.840415  0.144618  0.400789  1
  Sm  Sm46  1  0.516835  0.521001  0.450547  1
  Sm  Sm47  1  0.516891  0.819945  0.413049  1
  Sm  Sm48  1  0.518352  0.223552  0.486839  1
  Sm  Sm49  1  0.490276  0.738833  0.505838  1
  Sm  Sm50  1  0.491737  0.142440  0.579628  1
  Sm  Sm51  1  0.491794  0.441385  0.542130  1
  Sm  Sm52  1  0.168213  0.817767  0.591888  1
  Sm  Sm53  1  0.171727  0.118412  0.555717  1
  Sm  Sm54  1  0.170881  0.416906  0.518724  1
  Sm  Sm55  1  0.988640  0.774892  0.542427  1
  Sm  Sm56  1  0.991356  0.073799  0.505485  1
  Sm  Sm57  1  0.989112  0.478474  0.579267  1
  Sm  Sm58  1  0.668688  0.798031  0.567106  1
  Sm  Sm59  1  0.671286  0.097074  0.529449  1
  Sm  Sm60  1  0.672924  0.500483  0.604062  1
  Sm  Sm61  1  0.337816  0.566587  0.500517  1
  Sm  Sm62  1  0.338077  0.968578  0.574240  1
  Sm  Sm63  1  0.339302  0.267820  0.537244  1
  Sm  Sm64  1  0.017309  0.590221  0.524152  1
  Sm  Sm65  1  0.018699  0.991521  0.598395  1
  Sm  Sm66  1  0.019974  0.292507  0.561694  1
  Sm  Sm67  1  0.836377  0.650133  0.586395  1
  Sm  Sm68  1  0.837950  0.947147  0.548186  1
  Sm  Sm69  1  0.839780  0.247004  0.511112  1
  Sm  Sm70  1  0.519203  0.626665  0.562121  1
  Sm  Sm71  1  0.517580  0.924501  0.524047  1
  Sm  Sm72  1  0.521548  0.328663  0.596916  1
  Sm  Sm73  1  0.490621  0.839959  0.617430  1
  Sm  Sm74  1  0.499272  0.232849  0.694745  1
  Sm  Sm75  1  0.494270  0.540681  0.654112  1
  Sm  Sm76  1  0.173430  0.892313  0.705581  1
  Sm  Sm77  1  0.179505  0.208541  0.666384  1
  Sm  Sm78  1  0.169027  0.513604  0.628786  1
  Sm  Sm79  1  0.991169  0.876157  0.652613  1
  Sm  Sm80  1  0.994097  0.177357  0.615918  1
  Sm  Sm81  1  1.000279  0.571303  0.694096  1
  Sm  Sm82  1  0.663112  0.905359  0.677857  1
  Sm  Sm83  1  0.674197  0.204111  0.639567  1
  Sm  Sm84  1  0.679427  0.591375  0.714312  1
  Sm  Sm85  1  0.338760  0.667903  0.610698  1
  Sm  Sm86  1  0.339721  0.054902  0.688786  1
  Sm  Sm87  1  0.342756  0.363444  0.646732  1
  Sm  Sm88  1  0.016842  0.688846  0.636383  1
  Sm  Sm89  1  0.020714  0.096838  0.712020  1
  Sm  Sm90  1  0.022660  0.382901  0.678418  1
  Sm  Sm91  1  0.846806  0.756921  0.697620  1
  Sm  Sm92  1  0.840622  0.054869  0.656786  1
  Sm  Sm93  1  0.842641  0.353184  0.623089  1
  Sm  Sm94  1  0.504452  0.730046  0.676951  1
  Sm  Sm95  1  0.515262  0.029888  0.634321  1
  Sm  Sm96  1  0.516217  0.423065  0.711083  1
  Al  Al97  1  0.252755  0.488334  0.321065  1
  Al  Al98  1  0.246749  0.788510  0.289261  1
  Al  Al99  1  0.254911  0.185219  0.355833  1
  Al  Al100  1  0.749576  0.476890  0.305512  1
  Al  Al101  1  0.754684  0.871637  0.374581  1
  Al  Al102  1  0.758229  0.172630  0.340837  1
  Al  Al103  1  0.407450  0.588451  0.340203  1
  Al  Al104  1  0.399167  0.889031  0.304692  1
  Al  Al105  1  0.406792  0.286807  0.374724  1
  Al  Al106  1  0.905647  0.620279  0.372574  1
  Al  Al107  1  0.904804  0.925782  0.335066  1
  Al  Al108  1  0.897714  0.229644  0.301247  1
  Al  Al109  1  0.252343  0.335070  0.337651  1
  Al  Al110  1  0.256013  0.638591  0.304960  1
  Al  Al111  1  0.256603  0.036357  0.376075  1
  Al  Al112  1  0.751481  0.327113  0.324033  1
  Al  Al113  1  0.738742  0.625643  0.288160  1
  Al  Al114  1  0.754772  0.021766  0.357642  1
  Al  Al115  1  0.099266  0.439048  0.356873  1
  Al  Al116  1  0.092893  0.736697  0.322967  1
  Al  Al117  1  0.104897  0.020693  0.288660  1
  Al  Al118  1  0.606485  0.371886  0.283626  1
  Al  Al119  1  0.595811  0.770591  0.354733  1
  Al  Al120  1  0.606454  0.068898  0.319992  1
  Al  Al121  1  0.252282  0.586264  0.431942  1
  Al  Al122  1  0.254249  0.885897  0.395856  1
  Al  Al123  1  0.253847  0.288085  0.468714  1
  Al  Al124  1  0.755106  0.571583  0.412211  1
  Al  Al125  1  0.754635  0.972517  0.486555  1
  Al  Al126  1  0.755363  0.271835  0.449440  1
  Al  Al127  1  0.403421  0.688486  0.452005  1
  Al  Al128  1  0.405719  0.989149  0.414423  1
  Al  Al129  1  0.405135  0.389682  0.488267  1
  Al  Al130  1  0.903995  0.721220  0.485303  1
  Al  Al131  1  0.905589  0.019904  0.448615  1
  Al  Al132  1  0.906909  0.319322  0.411307  1
  Al  Al133  1  0.254561  0.436986  0.450355  1
  Al  Al134  1  0.252105  0.735245  0.413908  1
  Al  Al135  1  0.255793  0.139292  0.487492  1
  Al  Al136  1  0.753871  0.421388  0.430847  1
  Al  Al137  1  0.750788  0.721365  0.393378  1
  Al  Al138  1  0.754691  0.122342  0.468121  1
  Al  Al139  1  0.103475  0.539170  0.470227  1
  Al  Al140  1  0.102059  0.838142  0.433364  1
  Al  Al141  1  0.105685  0.139338  0.395639  1
  Al  Al142  1  0.601019  0.469499  0.393183  1
  Al  Al143  1  0.602536  0.870601  0.467085  1
  Al  Al144  1  0.604197  0.168972  0.430022  1
  Al  Al145  1  0.253265  0.690550  0.543237  1
  Al  Al146  1  0.253994  0.989869  0.506123  1
  Al  Al147  1  0.253522  0.390803  0.580467  1
  Al  Al148  1  0.754781  0.674300  0.523963  1
  Al  Al149  1  0.754380  0.076488  0.596821  1
  Al  Al150  1  0.756346  0.376122  0.560736  1
  Al  Al151  1  0.404431  0.793413  0.562656  1
  Al  Al152  1  0.406093  0.091785  0.525593  1
  Al  Al153  1  0.407609  0.492887  0.599494  1
  Al  Al154  1  0.902944  0.823048  0.597038  1
  Al  Al155  1  0.906569  0.124243  0.559314  1
  Al  Al156  1  0.905154  0.423215  0.522451  1
  Al  Al157  1  0.254757  0.540997  0.561830  1
  Al  Al158  1  0.253938  0.840044  0.524556  1
  Al  Al159  1  0.257840  0.241020  0.599300  1
  Al  Al160  1  0.754067  0.525399  0.542323  1
  Al  Al161  1  0.752836  0.823093  0.505185  1
  Al  Al162  1  0.756523  0.227140  0.578769  1
  Al  Al163  1  0.101720  0.643064  0.581371  1
  Al  Al164  1  0.103039  0.942482  0.544063  1
  Al  Al165  1  0.104633  0.241165  0.507375  1
  Al  Al166  1  0.603493  0.572703  0.504411  1
  Al  Al167  1  0.602909  0.973236  0.578254  1
  Al  Al168  1  0.605208  0.273899  0.540673  1
  Al  Al169  1  0.250400  0.789756  0.651840  1
  Al  Al170  1  0.253945  0.090748  0.618097  1
  Al  Al171  1  0.259052  0.485496  0.687165  1
  Al  Al172  1  0.753717  0.777167  0.636844  1
  Al  Al173  1  0.761879  0.173875  0.703416  1
  Al  Al174  1  0.755873  0.474051  0.671613  1
  Al  Al175  1  0.402175  0.893488  0.672685  1
  Al  Al176  1  0.412817  0.191795  0.637944  1
  Al  Al177  1  0.402143  0.590500  0.709051  1
  Al  Al178  1  0.903732  0.941693  0.704018  1
  Al  Al179  1  0.915735  0.225689  0.669711  1
  Al  Al180  1  0.909362  0.523337  0.635804  1
  Al  Al181  1  0.257147  0.635273  0.668645  1
  Al  Al182  1  0.253856  0.940619  0.635035  1
  Al  Al183  1  0.269886  0.336743  0.704517  1
  Al  Al184  1  0.756285  0.627316  0.655027  1
  Al  Al185  1  0.752025  0.926028  0.616602  1
  Al  Al186  1  0.752615  0.323795  0.687717  1
  Al  Al187  1  0.110914  0.732742  0.691431  1
  Al  Al188  1  0.103824  0.036604  0.657611  1
  Al  Al189  1  0.102982  0.342106  0.620103  1
  Al  Al190  1  0.601836  0.675578  0.617954  1
  Al  Al191  1  0.609461  0.073355  0.687985  1
  Al  Al192  1  0.601178  0.373934  0.652475  1
