# generated using pymatgen
data_SmAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.01224846
_cell_length_b   25.36155282
_cell_length_c   53.77673735
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl2
_chemical_formula_sum   'Sm72 Al144'
_cell_volume   10927.5977183
_cell_formula_units_Z   72
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  0.752458  0.302911  0.403057  1
  Sm  Sm2  1  0.748221  1.002911  0.355411  1
  Sm  Sm3  1  0.781661  0.701862  0.305274  1
  Sm  Sm4  1  0.500826  0.202845  0.426528  1
  Sm  Sm5  1  0.503918  0.902592  0.379593  1
  Sm  Sm6  1  0.510201  0.604107  0.332067  1
  Sm  Sm7  1  0.247919  0.152005  0.379249  1
  Sm  Sm8  1  0.259606  0.854772  0.331203  1
  Sm  Sm9  1  0.250649  0.559350  0.283094  1
  Sm  Sm10  1  0.990479  0.452152  0.305264  1
  Sm  Sm11  1  0.997346  0.053115  0.403163  1
  Sm  Sm12  1  0.010633  0.753086  0.355511  1
  Sm  Sm13  1  0.265769  0.351120  0.329110  1
  Sm  Sm14  1  0.251613  0.953312  0.426695  1
  Sm  Sm15  1  0.260390  0.653110  0.379468  1
  Sm  Sm16  1  0.997620  0.252955  0.355711  1
  Sm  Sm17  1  0.004619  0.957880  0.305683  1
  Sm  Sm18  1  0.007155  0.552764  0.402776  1
  Sm  Sm19  1  0.742805  0.206229  0.305767  1
  Sm  Sm20  1  0.757075  0.803156  0.402789  1
  Sm  Sm21  1  0.757325  0.502611  0.355733  1
  Sm  Sm22  1  0.502497  0.402361  0.378810  1
  Sm  Sm23  1  0.478467  0.101575  0.328624  1
  Sm  Sm24  1  0.517460  0.804504  0.283378  1
  Sm  Sm25  1  0.752751  0.203174  0.546241  1
  Sm  Sm26  1  0.752480  0.903268  0.498298  1
  Sm  Sm27  1  0.756092  0.602878  0.450453  1
  Sm  Sm28  1  0.502203  0.103455  0.570285  1
  Sm  Sm29  1  0.502537  0.803225  0.522057  1
  Sm  Sm30  1  0.505208  0.502810  0.474304  1
  Sm  Sm31  1  0.252064  0.053379  0.522284  1
  Sm  Sm32  1  0.254653  0.753098  0.474349  1
  Sm  Sm33  1  0.254814  0.452680  0.426416  1
  Sm  Sm34  1  0.004293  0.352890  0.450389  1
  Sm  Sm35  1  1.001150  0.953419  0.546077  1
  Sm  Sm36  1  0.004756  0.653004  0.498159  1
  Sm  Sm37  1  0.253050  0.252993  0.474399  1
  Sm  Sm38  1  0.249996  0.853104  0.569767  1
  Sm  Sm39  1  0.255674  0.552953  0.522048  1
  Sm  Sm40  1  1.001843  0.153190  0.498395  1
  Sm  Sm41  1  0.003771  0.853225  0.450527  1
  Sm  Sm42  1  0.006941  0.452887  0.545962  1
  Sm  Sm43  1  0.750216  0.103222  0.450584  1
  Sm  Sm44  1  0.753515  0.703053  0.545864  1
  Sm  Sm45  1  0.755311  0.402912  0.498201  1
  Sm  Sm46  1  0.504130  0.303069  0.522222  1
  Sm  Sm47  1  0.501451  0.003240  0.474458  1
  Sm  Sm48  1  0.507209  0.703260  0.426665  1
  Sm  Sm49  1  0.766517  0.103724  0.691165  1
  Sm  Sm50  1  0.747282  0.803221  0.640863  1
  Sm  Sm51  1  0.760025  0.503053  0.593378  1
  Sm  Sm52  1  0.512205  0.993978  0.713168  1
  Sm  Sm53  1  0.498063  0.702091  0.664453  1
  Sm  Sm54  1  0.509505  0.404170  0.617310  1
  Sm  Sm55  1  0.247659  0.951967  0.664443  1
  Sm  Sm56  1  0.252689  0.653572  0.616697  1
  Sm  Sm57  1  0.256402  0.353212  0.570067  1
  Sm  Sm58  1  0.004569  0.253119  0.593527  1
  Sm  Sm59  1  0.973801  0.854381  0.691386  1
  Sm  Sm60  1  0.008882  0.553112  0.641185  1
  Sm  Sm61  1  0.255063  0.153681  0.617931  1
  Sm  Sm62  1  0.239468  0.750864  0.713436  1
  Sm  Sm63  1  0.279123  0.454597  0.667988  1
  Sm  Sm64  1  1.000591  0.053565  0.640865  1
  Sm  Sm65  1  1.000166  0.753150  0.593610  1
  Sm  Sm66  1  0.015985  0.349834  0.690727  1
  Sm  Sm67  1  0.749865  0.003504  0.593830  1
  Sm  Sm68  1  0.752165  0.598458  0.691268  1
  Sm  Sm69  1  0.759009  0.303102  0.640841  1
  Sm  Sm70  1  0.490130  0.204884  0.668011  1
  Sm  Sm71  1  0.496655  0.903191  0.617034  1
  Sm  Sm72  1  0.505656  0.602878  0.569720  1
  Al  Al73  1  0.880086  0.328592  0.308935  1
  Al  Al74  1  0.877691  0.928050  0.402839  1
  Al  Al75  1  0.885835  0.628106  0.355316  1
  Al  Al76  1  0.881710  0.377974  0.354990  1
  Al  Al77  1  0.861188  0.079740  0.309217  1
  Al  Al78  1  0.882959  0.677995  0.402887  1
  Al  Al79  1  0.628786  0.302732  0.343566  1
  Al  Al80  1  0.627814  1.001869  0.298808  1
  Al  Al81  1  0.633067  0.603075  0.390933  1
  Al  Al82  1  0.627144  0.404775  0.320539  1
  Al  Al83  1  0.625126  0.003232  0.414761  1
  Al  Al84  1  0.638723  0.703407  0.366491  1
  Al  Al85  1  0.375155  0.077975  0.426665  1
  Al  Al86  1  0.384623  0.778521  0.378837  1
  Al  Al87  1  0.375424  0.479727  0.331753  1
  Al  Al88  1  0.373291  0.226484  0.331795  1
  Al  Al89  1  0.379627  0.828110  0.426780  1
  Al  Al90  1  0.380169  0.527747  0.378934  1
  Al  Al91  1  0.113323  0.154396  0.321055  1
  Al  Al92  1  0.132110  0.753207  0.414791  1
  Al  Al93  1  0.129349  0.451982  0.365785  1
  Al  Al94  1  0.119544  0.253183  0.299004  1
  Al  Al95  1  0.130469  0.853350  0.390649  1
  Al  Al96  1  0.130391  0.552573  0.342848  1
  Al  Al97  1  0.376164  0.277300  0.378731  1
  Al  Al98  1  0.373852  0.977047  0.331844  1
  Al  Al99  1  0.400998  0.678751  0.286604  1
  Al  Al100  1  0.369477  0.432619  0.286335  1
  Al  Al101  1  0.373391  0.027914  0.378749  1
  Al  Al102  1  0.393436  0.729564  0.331863  1
  Al  Al103  1  0.126527  0.252838  0.414683  1
  Al  Al104  1  0.124400  0.953458  0.366922  1
  Al  Al105  1  0.141941  0.654083  0.320907  1
  Al  Al106  1  0.130344  0.352657  0.389996  1
  Al  Al107  1  0.116058  0.053184  0.343912  1
  Al  Al108  1  0.145589  0.755480  0.297781  1
  Al  Al109  1  0.864596  0.128643  0.354974  1
  Al  Al110  1  0.890322  0.829075  0.308143  1
  Al  Al111  1  0.880861  0.427521  0.402608  1
  Al  Al112  1  0.872826  0.177676  0.402728  1
  Al  Al113  1  0.881620  0.879067  0.354790  1
  Al  Al114  1  0.881042  0.577757  0.308276  1
  Al  Al115  1  0.620262  0.102783  0.389977  1
  Al  Al116  1  0.639362  0.802721  0.342807  1
  Al  Al117  1  0.622788  0.507188  0.297791  1
  Al  Al118  1  0.622045  0.202147  0.366388  1
  Al  Al119  1  0.630836  0.903087  0.320258  1
  Al  Al120  1  0.630537  0.502643  0.414732  1
  Al  Al121  1  0.876899  0.227948  0.450598  1
  Al  Al122  1  0.876603  0.828193  0.545899  1
  Al  Al123  1  0.880608  0.527880  0.498152  1
  Al  Al124  1  0.878573  0.278033  0.498308  1
  Al  Al125  1  0.876476  0.978211  0.450667  1
  Al  Al126  1  0.880702  0.577969  0.545813  1
  Al  Al127  1  0.627288  0.203113  0.486430  1
  Al  Al128  1  0.628167  0.903180  0.438792  1
  Al  Al129  1  0.631044  0.502939  0.533904  1
  Al  Al130  1  0.628065  0.302924  0.462512  1
  Al  Al131  1  0.625850  0.903340  0.557794  1
  Al  Al132  1  0.630245  0.602955  0.510076  1
  Al  Al133  1  0.375691  0.978548  0.569896  1
  Al  Al134  1  0.379375  0.678044  0.521981  1
  Al  Al135  1  0.379422  0.377919  0.474324  1
  Al  Al136  1  0.376510  0.128177  0.474486  1
  Al  Al137  1  0.377493  0.728211  0.569552  1
  Al  Al138  1  0.380680  0.427928  0.522090  1
  Al  Al139  1  0.126191  0.053209  0.462632  1
  Al  Al140  1  0.128933  0.653046  0.557615  1
  Al  Al141  1  0.129874  0.352967  0.510178  1
  Al  Al142  1  0.125408  0.153014  0.438721  1
  Al  Al143  1  0.127807  0.753140  0.533917  1
  Al  Al144  1  0.130336  0.452879  0.486244  1
  Al  Al145  1  0.377748  0.178163  0.522307  1
  Al  Al146  1  0.377815  0.878235  0.474440  1
  Al  Al147  1  0.381661  0.577789  0.426732  1
  Al  Al148  1  0.377815  0.327761  0.426499  1
  Al  Al149  1  0.376581  0.928332  0.522149  1
  Al  Al150  1  0.380621  0.627959  0.474346  1
  Al  Al151  1  0.127778  0.153314  0.558128  1
  Al  Al152  1  0.127414  0.853250  0.510172  1
  Al  Al153  1  0.130731  0.552836  0.462414  1
  Al  Al154  1  0.129112  0.253143  0.534106  1
  Al  Al155  1  0.126968  0.953281  0.486406  1
  Al  Al156  1  0.131364  0.652983  0.438689  1
  Al  Al157  1  0.876578  0.028308  0.498389  1
  Al  Al158  1  0.880638  0.728126  0.450526  1
  Al  Al159  1  0.880245  0.328129  0.546003  1
  Al  Al160  1  0.876809  0.078390  0.546169  1
  Al  Al161  1  0.878610  0.778160  0.498206  1
  Al  Al162  1  0.880379  0.477779  0.450436  1
  Al  Al163  1  0.626443  0.003400  0.534142  1
  Al  Al164  1  0.629793  0.703053  0.486260  1
  Al  Al165  1  0.629418  0.402802  0.438524  1
  Al  Al166  1  0.626812  0.103259  0.510354  1
  Al  Al167  1  0.629363  0.803166  0.462489  1
  Al  Al168  1  0.631810  0.403085  0.557851  1
  Al  Al169  1  0.876168  0.128618  0.594039  1
  Al  Al170  1  0.865962  0.726402  0.688639  1
  Al  Al171  1  0.892855  0.427579  0.641581  1
  Al  Al172  1  0.875374  0.177974  0.641626  1
  Al  Al173  1  0.874392  0.878308  0.593563  1
  Al  Al174  1  0.896921  0.476356  0.687411  1
  Al  Al175  1  0.627180  0.104050  0.630899  1
  Al  Al176  1  0.625133  0.803173  0.581588  1
  Al  Al177  1  0.644380  0.402068  0.675409  1
  Al  Al178  1  0.626442  0.203368  0.606795  1
  Al  Al179  1  0.610278  0.799502  0.698749  1
  Al  Al180  1  0.641262  0.503336  0.652894  1
  Al  Al181  1  0.355413  0.876744  0.709850  1
  Al  Al182  1  0.382892  0.578554  0.664047  1
  Al  Al183  1  0.381191  0.278671  0.617951  1
  Al  Al184  1  0.376577  0.028848  0.618097  1
  Al  Al185  1  0.378240  0.631428  0.709463  1
  Al  Al186  1  0.384379  0.329598  0.664756  1
  Al  Al187  1  0.124427  0.953216  0.605616  1
  Al  Al188  1  0.131115  0.554278  0.698314  1
  Al  Al189  1  0.127711  0.253535  0.652727  1
  Al  Al190  1  0.126825  0.053564  0.581910  1
  Al  Al191  1  0.122998  0.653093  0.675775  1
  Al  Al192  1  0.135310  0.354034  0.630151  1
  Al  Al193  1  0.385227  0.077644  0.666458  1
  Al  Al194  1  0.372154  0.777966  0.617415  1
  Al  Al195  1  0.382015  0.478122  0.569824  1
  Al  Al196  1  0.379335  0.228289  0.570172  1
  Al  Al197  1  0.363159  0.826338  0.664626  1
  Al  Al198  1  0.384311  0.528014  0.617546  1
  Al  Al199  1  0.135839  0.048720  0.698491  1
  Al  Al200  1  0.117595  0.753433  0.653806  1
  Al  Al201  1  0.136957  0.453295  0.606540  1
  Al  Al202  1  0.129513  0.150903  0.675865  1
  Al  Al203  1  0.118461  0.852802  0.630018  1
  Al  Al204  1  0.131953  0.552898  0.581719  1
  Al  Al205  1  0.871741  0.928068  0.641121  1
  Al  Al206  1  0.879436  0.628050  0.593593  1
  Al  Al207  1  0.877172  0.228175  0.687250  1
  Al  Al208  1  0.878484  0.978287  0.688024  1
  Al  Al209  1  0.874431  0.677327  0.641538  1
  Al  Al210  1  0.884332  0.378424  0.593846  1
  Al  Al211  1  0.615484  0.901392  0.675364  1
  Al  Al212  1  0.632815  0.602806  0.629614  1
  Al  Al213  1  0.630560  0.303202  0.581937  1
  Al  Al214  1  0.626816  0.003490  0.653610  1
  Al  Al215  1  0.626916  0.702918  0.605496  1
  Al  Al216  1  0.639925  0.304161  0.697493  1
