# generated using pymatgen
data_SmAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.39283458
_cell_length_b   25.37573534
_cell_length_c   49.98757360
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl2
_chemical_formula_sum   'Sm96 Al192'
_cell_volume   14085.5654867
_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  0.997668  0.951850  0.281860  1
  Sm  Sm2  1  0.154689  0.266078  0.316835  1
  Sm  Sm3  1  0.313117  0.582865  0.356824  1
  Sm  Sm4  1  0.290310  0.037309  0.290530  1
  Sm  Sm5  1  0.445514  0.347681  0.328719  1
  Sm  Sm6  1  0.603310  0.663296  0.366268  1
  Sm  Sm7  1  0.313117  0.082865  0.356824  1
  Sm  Sm8  1  0.997668  0.451850  0.281860  1
  Sm  Sm9  1  0.154689  0.766078  0.316835  1
  Sm  Sm10  1  0.445514  0.847681  0.328719  1
  Sm  Sm11  1  0.603310  0.163296  0.366268  1
  Sm  Sm12  1  0.290310  0.537309  0.290530  1
  Sm  Sm13  1  0.813117  0.082865  0.356824  1
  Sm  Sm14  1  0.497668  0.451850  0.281860  1
  Sm  Sm15  1  0.654689  0.766078  0.316835  1
  Sm  Sm16  1  0.945514  0.847681  0.328719  1
  Sm  Sm17  1  0.103310  0.163296  0.366268  1
  Sm  Sm18  1  0.790310  0.537309  0.290530  1
  Sm  Sm19  1  0.497668  0.951850  0.281860  1
  Sm  Sm20  1  0.654689  0.266078  0.316835  1
  Sm  Sm21  1  0.813117  0.582865  0.356824  1
  Sm  Sm22  1  0.790310  0.037309  0.290530  1
  Sm  Sm23  1  0.945514  0.347681  0.328719  1
  Sm  Sm24  1  0.103310  0.663296  0.366268  1
  Sm  Sm25  1  0.471681  0.899997  0.392833  1
  Sm  Sm26  1  0.629595  0.215817  0.430582  1
  Sm  Sm27  1  0.787317  0.531244  0.467581  1
  Sm  Sm28  1  0.760801  0.978254  0.402437  1
  Sm  Sm29  1  0.919053  0.294760  0.439425  1
  Sm  Sm30  1  0.076830  0.610304  0.477034  1
  Sm  Sm31  1  0.787317  0.031244  0.467581  1
  Sm  Sm32  1  0.471681  0.399997  0.392833  1
  Sm  Sm33  1  0.629595  0.715817  0.430582  1
  Sm  Sm34  1  0.919053  0.794760  0.439425  1
  Sm  Sm35  1  0.076830  0.110304  0.477034  1
  Sm  Sm36  1  0.760801  0.478254  0.402437  1
  Sm  Sm37  1  0.287317  0.031244  0.467581  1
  Sm  Sm38  1  0.971681  0.399997  0.392833  1
  Sm  Sm39  1  0.129595  0.715817  0.430582  1
  Sm  Sm40  1  0.419053  0.794760  0.439425  1
  Sm  Sm41  1  0.576830  0.110304  0.477034  1
  Sm  Sm42  1  0.260801  0.478254  0.402437  1
  Sm  Sm43  1  0.971681  0.899997  0.392833  1
  Sm  Sm44  1  0.129595  0.215817  0.430582  1
  Sm  Sm45  1  0.287317  0.531244  0.467581  1
  Sm  Sm46  1  0.260801  0.978254  0.402437  1
  Sm  Sm47  1  0.419053  0.294760  0.439425  1
  Sm  Sm48  1  0.576830  0.610304  0.477034  1
  Sm  Sm49  1  0.945310  0.847224  0.504508  1
  Sm  Sm50  1  0.103115  0.162829  0.542084  1
  Sm  Sm51  1  0.261329  0.479249  0.579242  1
  Sm  Sm52  1  0.234829  0.926295  0.513971  1
  Sm  Sm53  1  0.392566  0.241758  0.550937  1
  Sm  Sm54  1  0.550403  0.557413  0.588551  1
  Sm  Sm55  1  0.261329  0.979249  0.579242  1
  Sm  Sm56  1  0.945310  0.347224  0.504508  1
  Sm  Sm57  1  0.103115  0.662829  0.542084  1
  Sm  Sm58  1  0.392566  0.741758  0.550937  1
  Sm  Sm59  1  0.550403  0.057413  0.588551  1
  Sm  Sm60  1  0.234829  0.426295  0.513971  1
  Sm  Sm61  1  0.761329  0.979249  0.579242  1
  Sm  Sm62  1  0.445310  0.347224  0.504508  1
  Sm  Sm63  1  0.603115  0.662829  0.542084  1
  Sm  Sm64  1  0.892566  0.741758  0.550937  1
  Sm  Sm65  1  0.050403  0.057413  0.588551  1
  Sm  Sm66  1  0.734829  0.426295  0.513971  1
  Sm  Sm67  1  0.445310  0.847224  0.504508  1
  Sm  Sm68  1  0.603115  0.162829  0.542084  1
  Sm  Sm69  1  0.761329  0.479249  0.579242  1
  Sm  Sm70  1  0.734829  0.926295  0.513971  1
  Sm  Sm71  1  0.892566  0.241758  0.550937  1
  Sm  Sm72  1  0.050403  0.557413  0.588551  1
  Sm  Sm73  1  0.418901  0.794382  0.615206  1
  Sm  Sm74  1  0.576528  0.109658  0.652544  1
  Sm  Sm75  1  0.731997  0.420563  0.691807  1
  Sm  Sm76  1  0.708925  0.874445  0.625014  1
  Sm  Sm77  1  0.867787  0.192223  0.664198  1
  Sm  Sm78  1  0.024534  0.505705  0.701609  1
  Sm  Sm79  1  0.731997  0.920563  0.691807  1
  Sm  Sm80  1  0.418901  0.294382  0.615206  1
  Sm  Sm81  1  0.576528  0.609658  0.652544  1
  Sm  Sm82  1  0.867787  0.692223  0.664198  1
  Sm  Sm83  1  0.024534  0.005705  0.701609  1
  Sm  Sm84  1  0.708925  0.374445  0.625014  1
  Sm  Sm85  1  0.231997  0.920563  0.691807  1
  Sm  Sm86  1  0.918901  0.294382  0.615206  1
  Sm  Sm87  1  0.076528  0.609658  0.652544  1
  Sm  Sm88  1  0.367787  0.692223  0.664198  1
  Sm  Sm89  1  0.524534  0.005705  0.701609  1
  Sm  Sm90  1  0.208925  0.374445  0.625014  1
  Sm  Sm91  1  0.918901  0.794382  0.615206  1
  Sm  Sm92  1  0.076528  0.109658  0.652544  1
  Sm  Sm93  1  0.231997  0.420563  0.691807  1
  Sm  Sm94  1  0.208925  0.874445  0.625014  1
  Sm  Sm95  1  0.367787  0.192223  0.664198  1
  Sm  Sm96  1  0.524534  0.505705  0.701609  1
  Al  Al97  1  0.708353  0.873354  0.360068  1
  Al  Al98  1  0.393126  0.242941  0.290180  1
  Al  Al99  1  0.550314  0.557280  0.323436  1
  Al  Al100  1  0.721964  0.900470  0.304714  1
  Al  Al101  1  0.878898  0.214479  0.343576  1
  Al  Al102  1  0.037301  0.531235  0.379175  1
  Al  Al103  1  0.878997  0.966167  0.341614  1
  Al  Al104  1  0.038203  0.281486  0.378737  1
  Al  Al105  1  0.720109  0.649311  0.307631  1
  Al  Al106  1  0.630539  0.966163  0.341615  1
  Al  Al107  1  0.786621  0.281486  0.378738  1
  Al  Al108  1  0.472517  0.649302  0.307621  1
  Al  Al109  1  0.550314  0.057280  0.323436  1
  Al  Al110  1  0.708353  0.373354  0.360068  1
  Al  Al111  1  0.393126  0.742941  0.290180  1
  Al  Al112  1  0.037301  0.031235  0.379175  1
  Al  Al113  1  0.721964  0.400470  0.304714  1
  Al  Al114  1  0.878898  0.714479  0.343576  1
  Al  Al115  1  0.720109  0.149311  0.307631  1
  Al  Al116  1  0.878997  0.466167  0.341614  1
  Al  Al117  1  0.038203  0.781486  0.378737  1
  Al  Al118  1  0.472517  0.149302  0.307621  1
  Al  Al119  1  0.630539  0.466163  0.341615  1
  Al  Al120  1  0.786621  0.781486  0.378738  1
  Al  Al121  1  0.050314  0.057280  0.323436  1
  Al  Al122  1  0.208353  0.373354  0.360068  1
  Al  Al123  1  0.893126  0.742941  0.290180  1
  Al  Al124  1  0.537301  0.031235  0.379175  1
  Al  Al125  1  0.221964  0.400470  0.304714  1
  Al  Al126  1  0.378898  0.714479  0.343576  1
  Al  Al127  1  0.220109  0.149311  0.307631  1
  Al  Al128  1  0.378997  0.466167  0.341614  1
  Al  Al129  1  0.538203  0.781486  0.378737  1
  Al  Al130  1  0.972517  0.149302  0.307621  1
  Al  Al131  1  0.130539  0.466163  0.341615  1
  Al  Al132  1  0.286621  0.781486  0.378738  1
  Al  Al133  1  0.208353  0.873354  0.360068  1
  Al  Al134  1  0.893126  0.242941  0.290180  1
  Al  Al135  1  0.050314  0.557280  0.323436  1
  Al  Al136  1  0.221964  0.900470  0.304714  1
  Al  Al137  1  0.378898  0.214479  0.343576  1
  Al  Al138  1  0.537301  0.531235  0.379175  1
  Al  Al139  1  0.378997  0.966167  0.341614  1
  Al  Al140  1  0.538203  0.281486  0.378737  1
  Al  Al141  1  0.220109  0.649311  0.307631  1
  Al  Al142  1  0.130539  0.966163  0.341615  1
  Al  Al143  1  0.286621  0.281486  0.378738  1
  Al  Al144  1  0.972517  0.649302  0.307621  1
  Al  Al145  1  0.182162  0.820949  0.472033  1
  Al  Al146  1  0.866403  0.189464  0.398356  1
  Al  Al147  1  0.024119  0.504870  0.435035  1
  Al  Al148  1  0.195251  0.847149  0.416097  1
  Al  Al149  1  0.353137  0.162906  0.453823  1
  Al  Al150  1  0.511066  0.478754  0.490762  1
  Al  Al151  1  0.353134  0.912919  0.453465  1
  Al  Al152  1  0.511085  0.228783  0.490764  1
  Al  Al153  1  0.195095  0.596919  0.416760  1
  Al  Al154  1  0.103154  0.912919  0.453466  1
  Al  Al155  1  0.261073  0.228783  0.490764  1
  Al  Al156  1  0.945186  0.596920  0.416759  1
  Al  Al157  1  0.024119  0.004870  0.435035  1
  Al  Al158  1  0.182162  0.320949  0.472033  1
  Al  Al159  1  0.866403  0.689464  0.398356  1
  Al  Al160  1  0.511066  0.978754  0.490762  1
  Al  Al161  1  0.195251  0.347149  0.416097  1
  Al  Al162  1  0.353137  0.662906  0.453823  1
  Al  Al163  1  0.195095  0.096919  0.416760  1
  Al  Al164  1  0.353134  0.412919  0.453465  1
  Al  Al165  1  0.511085  0.728783  0.490764  1
  Al  Al166  1  0.945186  0.096920  0.416759  1
  Al  Al167  1  0.103154  0.412919  0.453466  1
  Al  Al168  1  0.261073  0.728783  0.490764  1
  Al  Al169  1  0.524119  0.004870  0.435035  1
  Al  Al170  1  0.682162  0.320949  0.472033  1
  Al  Al171  1  0.366403  0.689464  0.398356  1
  Al  Al172  1  0.011066  0.978754  0.490762  1
  Al  Al173  1  0.695251  0.347149  0.416097  1
  Al  Al174  1  0.853137  0.662906  0.453823  1
  Al  Al175  1  0.695095  0.096919  0.416760  1
  Al  Al176  1  0.853134  0.412919  0.453465  1
  Al  Al177  1  0.011085  0.728783  0.490764  1
  Al  Al178  1  0.445186  0.096920  0.416759  1
  Al  Al179  1  0.603154  0.412919  0.453466  1
  Al  Al180  1  0.761073  0.728783  0.490764  1
  Al  Al181  1  0.682162  0.820949  0.472033  1
  Al  Al182  1  0.366403  0.189464  0.398356  1
  Al  Al183  1  0.524119  0.504870  0.435035  1
  Al  Al184  1  0.695251  0.847149  0.416097  1
  Al  Al185  1  0.853137  0.162906  0.453823  1
  Al  Al186  1  0.011066  0.478754  0.490762  1
  Al  Al187  1  0.853134  0.912919  0.453465  1
  Al  Al188  1  0.011085  0.228783  0.490764  1
  Al  Al189  1  0.695095  0.596919  0.416760  1
  Al  Al190  1  0.603154  0.912919  0.453466  1
  Al  Al191  1  0.761073  0.228783  0.490764  1
  Al  Al192  1  0.445186  0.596920  0.416759  1
  Al  Al193  1  0.655794  0.768186  0.583322  1
  Al  Al194  1  0.339988  0.136599  0.509498  1
  Al  Al195  1  0.497994  0.452601  0.546467  1
  Al  Al196  1  0.669015  0.794647  0.527740  1
  Al  Al197  1  0.826842  0.110286  0.565412  1
  Al  Al198  1  0.985015  0.426631  0.602220  1
  Al  Al199  1  0.826965  0.860633  0.564813  1
  Al  Al200  1  0.984014  0.176068  0.602621  1
  Al  Al201  1  0.669024  0.544580  0.528053  1
  Al  Al202  1  0.577061  0.860632  0.564815  1
  Al  Al203  1  0.735452  0.176068  0.602621  1
  Al  Al204  1  0.418941  0.544581  0.528053  1
  Al  Al205  1  0.497994  0.952601  0.546467  1
  Al  Al206  1  0.655794  0.268186  0.583322  1
  Al  Al207  1  0.339988  0.636599  0.509498  1
  Al  Al208  1  0.985015  0.926631  0.602220  1
  Al  Al209  1  0.669015  0.294647  0.527740  1
  Al  Al210  1  0.826842  0.610286  0.565412  1
  Al  Al211  1  0.669024  0.044580  0.528053  1
  Al  Al212  1  0.826965  0.360633  0.564813  1
  Al  Al213  1  0.984014  0.676068  0.602621  1
  Al  Al214  1  0.418941  0.044581  0.528053  1
  Al  Al215  1  0.577061  0.360632  0.564815  1
  Al  Al216  1  0.735452  0.676068  0.602621  1
  Al  Al217  1  0.997994  0.952601  0.546467  1
  Al  Al218  1  0.155794  0.268186  0.583322  1
  Al  Al219  1  0.839988  0.636599  0.509498  1
  Al  Al220  1  0.485015  0.926631  0.602220  1
  Al  Al221  1  0.169015  0.294647  0.527740  1
  Al  Al222  1  0.326842  0.610286  0.565412  1
  Al  Al223  1  0.169024  0.044580  0.528053  1
  Al  Al224  1  0.326965  0.360633  0.564813  1
  Al  Al225  1  0.484014  0.676068  0.602621  1
  Al  Al226  1  0.918941  0.044581  0.528053  1
  Al  Al227  1  0.077061  0.360632  0.564815  1
  Al  Al228  1  0.235452  0.676068  0.602621  1
  Al  Al229  1  0.155794  0.768186  0.583322  1
  Al  Al230  1  0.839988  0.136599  0.509498  1
  Al  Al231  1  0.997994  0.452601  0.546467  1
  Al  Al232  1  0.169015  0.794647  0.527740  1
  Al  Al233  1  0.326842  0.110286  0.565412  1
  Al  Al234  1  0.485015  0.426631  0.602220  1
  Al  Al235  1  0.326965  0.860633  0.564813  1
  Al  Al236  1  0.484014  0.176068  0.602621  1
  Al  Al237  1  0.169024  0.544580  0.528053  1
  Al  Al238  1  0.077061  0.860632  0.564815  1
  Al  Al239  1  0.235452  0.176068  0.602621  1
  Al  Al240  1  0.918941  0.544581  0.528053  1
  Al  Al241  1  0.129333  0.715339  0.693296  1
  Al  Al242  1  0.813787  0.084170  0.621669  1
  Al  Al243  1  0.971792  0.400158  0.657122  1
  Al  Al244  1  0.142608  0.741809  0.638504  1
  Al  Al245  1  0.299347  0.055294  0.676880  1
  Al  Al246  1  0.457664  0.371823  0.710421  1
  Al  Al247  1  0.300250  0.807482  0.674450  1
  Al  Al248  1  0.458697  0.123344  0.709994  1
  Al  Al249  1  0.142408  0.491331  0.640428  1
  Al  Al250  1  0.050676  0.807484  0.674442  1
  Al  Al251  1  0.207964  0.123321  0.709998  1
  Al  Al252  1  0.892327  0.491336  0.640424  1
  Al  Al253  1  0.971792  0.900158  0.657122  1
  Al  Al254  1  0.129333  0.215339  0.693296  1
  Al  Al255  1  0.813787  0.584170  0.621669  1
  Al  Al256  1  0.457664  0.871823  0.710421  1
  Al  Al257  1  0.142608  0.241809  0.638504  1
  Al  Al258  1  0.299347  0.555294  0.676880  1
  Al  Al259  1  0.142408  0.991331  0.640428  1
  Al  Al260  1  0.300250  0.307482  0.674450  1
  Al  Al261  1  0.458697  0.623344  0.709994  1
  Al  Al262  1  0.892327  0.991336  0.640424  1
  Al  Al263  1  0.050676  0.307484  0.674442  1
  Al  Al264  1  0.207964  0.623321  0.709998  1
  Al  Al265  1  0.471792  0.900158  0.657122  1
  Al  Al266  1  0.629333  0.215339  0.693296  1
  Al  Al267  1  0.313787  0.584170  0.621669  1
  Al  Al268  1  0.957664  0.871823  0.710421  1
  Al  Al269  1  0.642608  0.241809  0.638504  1
  Al  Al270  1  0.799347  0.555294  0.676880  1
  Al  Al271  1  0.642408  0.991331  0.640428  1
  Al  Al272  1  0.800250  0.307482  0.674450  1
  Al  Al273  1  0.958697  0.623344  0.709994  1
  Al  Al274  1  0.392327  0.991336  0.640424  1
  Al  Al275  1  0.550676  0.307484  0.674442  1
  Al  Al276  1  0.707964  0.623321  0.709998  1
  Al  Al277  1  0.629333  0.715339  0.693296  1
  Al  Al278  1  0.313787  0.084170  0.621669  1
  Al  Al279  1  0.471792  0.400158  0.657122  1
  Al  Al280  1  0.642608  0.741809  0.638504  1
  Al  Al281  1  0.799347  0.055294  0.676880  1
  Al  Al282  1  0.957664  0.371823  0.710421  1
  Al  Al283  1  0.800250  0.807482  0.674450  1
  Al  Al284  1  0.958697  0.123344  0.709994  1
  Al  Al285  1  0.642408  0.491331  0.640428  1
  Al  Al286  1  0.550676  0.807484  0.674442  1
  Al  Al287  1  0.707964  0.123321  0.709998  1
  Al  Al288  1  0.392327  0.491336  0.640424  1
