# generated using pymatgen
data_SmAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.37146212
_cell_length_b   17.89492065
_cell_length_c   48.53230321
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl2
_chemical_formula_sum   'Sm64 Al128'
_cell_volume   9369.10794881
_cell_formula_units_Z   64
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  0.909793  0.836800  0.291177  1
  Sm  Sm2  1  0.129816  0.276886  0.349094  1
  Sm  Sm3  1  0.219482  0.956444  0.304706  1
  Sm  Sm4  1  0.436807  0.390945  0.363094  1
  Sm  Sm5  1  0.241943  1.001169  0.375587  1
  Sm  Sm6  1  0.017440  0.552250  0.317313  1
  Sm  Sm7  1  0.325521  0.668382  0.333587  1
  Sm  Sm8  1  0.101133  0.219114  0.279445  1
  Sm  Sm9  1  0.741943  1.001169  0.375587  1
  Sm  Sm10  1  0.517440  0.552250  0.317313  1
  Sm  Sm11  1  0.825521  0.668382  0.333587  1
  Sm  Sm12  1  0.601133  0.219114  0.279445  1
  Sm  Sm13  1  0.409793  0.836800  0.291177  1
  Sm  Sm14  1  0.629816  0.276886  0.349094  1
  Sm  Sm15  1  0.719482  0.956444  0.304706  1
  Sm  Sm16  1  0.936807  0.390945  0.363094  1
  Sm  Sm17  1  0.353541  0.724388  0.402500  1
  Sm  Sm18  1  0.575472  0.168172  0.460199  1
  Sm  Sm19  1  0.658775  0.834871  0.416858  1
  Sm  Sm20  1  0.881140  0.279554  0.473928  1
  Sm  Sm21  1  0.686721  0.890667  0.487006  1
  Sm  Sm22  1  0.464810  0.446898  0.431743  1
  Sm  Sm23  1  0.770397  0.558110  0.444872  1
  Sm  Sm24  1  0.547357  0.112016  0.391282  1
  Sm  Sm25  1  0.186721  0.890667  0.487006  1
  Sm  Sm26  1  0.964810  0.446898  0.431743  1
  Sm  Sm27  1  0.270397  0.558110  0.444872  1
  Sm  Sm28  1  0.047357  0.112016  0.391282  1
  Sm  Sm29  1  0.853541  0.724388  0.402500  1
  Sm  Sm30  1  0.075472  0.168172  0.460199  1
  Sm  Sm31  1  0.158775  0.834871  0.416858  1
  Sm  Sm32  1  0.381140  0.279554  0.473928  1
  Sm  Sm33  1  0.798009  0.613251  0.514496  1
  Sm  Sm34  1  0.020188  0.057530  0.571672  1
  Sm  Sm35  1  0.103602  0.724471  0.528313  1
  Sm  Sm36  1  0.325417  0.168019  0.585535  1
  Sm  Sm37  1  0.131618  0.780406  0.597399  1
  Sm  Sm38  1  0.908819  0.334843  0.543444  1
  Sm  Sm39  1  0.214427  0.446107  0.556612  1
  Sm  Sm40  1  0.992255  1.001771  0.501534  1
  Sm  Sm41  1  0.631618  0.780406  0.597399  1
  Sm  Sm42  1  0.408819  0.334843  0.543444  1
  Sm  Sm43  1  0.714427  0.446107  0.556612  1
  Sm  Sm44  1  0.492255  1.001771  0.501534  1
  Sm  Sm45  1  0.298009  0.613251  0.514496  1
  Sm  Sm46  1  0.520188  0.057530  0.571672  1
  Sm  Sm47  1  0.603602  0.724471  0.528313  1
  Sm  Sm48  1  0.825417  0.168019  0.585535  1
  Sm  Sm49  1  0.242528  0.502280  0.625322  1
  Sm  Sm50  1  0.459987  0.936869  0.684083  1
  Sm  Sm51  1  0.549011  0.615284  0.639683  1
  Sm  Sm52  1  0.770238  0.057550  0.698609  1
  Sm  Sm53  1  0.577616  0.672916  0.709234  1
  Sm  Sm54  1  0.353503  0.224186  0.653919  1
  Sm  Sm55  1  0.662097  0.341523  0.670391  1
  Sm  Sm56  1  0.437035  0.891234  0.613085  1
  Sm  Sm57  1  0.077616  0.672916  0.709234  1
  Sm  Sm58  1  0.853503  0.224186  0.653919  1
  Sm  Sm59  1  0.162097  0.341523  0.670391  1
  Sm  Sm60  1  0.937035  0.891234  0.613085  1
  Sm  Sm61  1  0.742528  0.502280  0.625322  1
  Sm  Sm62  1  0.959987  0.936869  0.684083  1
  Sm  Sm63  1  0.049011  0.615284  0.639683  1
  Sm  Sm64  1  0.270238  0.057550  0.698609  1
  Al  Al65  1  0.589440  0.696207  0.367339  1
  Al  Al66  1  0.366003  0.249168  0.314047  1
  Al  Al67  1  0.617705  0.752633  0.312084  1
  Al  Al68  1  0.839611  0.196485  0.370049  1
  Al  Al69  1  0.783753  0.836363  0.353429  1
  Al  Al70  1  0.558647  0.384641  0.301789  1
  Al  Al71  1  0.535283  0.836343  0.353433  1
  Al  Al72  1  0.308723  0.384652  0.301783  1
  Al  Al73  1  0.478271  0.973905  0.341427  1
  Al  Al74  1  0.254447  0.526277  0.288839  1
  Al  Al75  1  0.506779  0.031209  0.287656  1
  Al  Al76  1  0.726502  0.470354  0.342099  1
  Al  Al77  1  0.672749  0.113786  0.328939  1
  Al  Al78  1  0.895824  0.557707  0.381706  1
  Al  Al79  1  0.423737  0.113788  0.328937  1
  Al  Al80  1  0.644548  0.557704  0.381707  1
  Al  Al81  1  0.978271  0.973905  0.341427  1
  Al  Al82  1  0.754447  0.526277  0.288839  1
  Al  Al83  1  0.006779  0.031209  0.287656  1
  Al  Al84  1  0.226502  0.470354  0.342099  1
  Al  Al85  1  0.172749  0.113786  0.328939  1
  Al  Al86  1  0.395824  0.557707  0.381706  1
  Al  Al87  1  0.923737  0.113788  0.328937  1
  Al  Al88  1  0.144548  0.557704  0.381707  1
  Al  Al89  1  0.089440  0.696207  0.367339  1
  Al  Al90  1  0.866003  0.249168  0.314047  1
  Al  Al91  1  0.117705  0.752633  0.312084  1
  Al  Al92  1  0.339611  0.196485  0.370049  1
  Al  Al93  1  0.283753  0.836363  0.353429  1
  Al  Al94  1  0.058647  0.384641  0.301789  1
  Al  Al95  1  0.035283  0.836343  0.353433  1
  Al  Al96  1  0.808723  0.384652  0.301783  1
  Al  Al97  1  0.034146  0.585556  0.479747  1
  Al  Al98  1  0.811415  0.140109  0.425332  1
  Al  Al99  1  0.061910  0.641131  0.423600  1
  Al  Al100  1  0.283758  0.084755  0.480823  1
  Al  Al101  1  0.228517  0.724298  0.465615  1
  Al  Al102  1  0.006114  0.279375  0.411507  1
  Al  Al103  1  0.978505  0.724293  0.465616  1
  Al  Al104  1  0.755980  0.279376  0.411506  1
  Al  Al105  1  0.922704  0.862679  0.452032  1
  Al  Al106  1  0.700694  0.418707  0.397242  1
  Al  Al107  1  0.950208  0.917715  0.396305  1
  Al  Al108  1  0.172881  0.363035  0.452874  1
  Al  Al109  1  0.117057  1.001023  0.438714  1
  Al  Al110  1  0.339604  0.446463  0.494183  1
  Al  Al111  1  0.866699  1.001028  0.438712  1
  Al  Al112  1  0.089599  0.446463  0.494183  1
  Al  Al113  1  0.422704  0.862679  0.452032  1
  Al  Al114  1  0.200694  0.418707  0.397242  1
  Al  Al115  1  0.450208  0.917715  0.396305  1
  Al  Al116  1  0.672881  0.363035  0.452874  1
  Al  Al117  1  0.617057  1.001023  0.438714  1
  Al  Al118  1  0.839604  0.446463  0.494183  1
  Al  Al119  1  0.366699  1.001028  0.438712  1
  Al  Al120  1  0.589599  0.446463  0.494183  1
  Al  Al121  1  0.534146  0.585556  0.479747  1
  Al  Al122  1  0.311415  0.140109  0.425332  1
  Al  Al123  1  0.561910  0.641131  0.423600  1
  Al  Al124  1  0.783758  0.084755  0.480823  1
  Al  Al125  1  0.728517  0.724298  0.465615  1
  Al  Al126  1  0.506114  0.279375  0.411507  1
  Al  Al127  1  0.478505  0.724293  0.465616  1
  Al  Al128  1  0.255980  0.279376  0.411506  1
  Al  Al129  1  0.478544  0.474312  0.591287  1
  Al  Al130  1  0.256238  0.029692  0.536451  1
  Al  Al131  1  0.506299  0.529847  0.535557  1
  Al  Al132  1  0.728712  0.974583  0.592298  1
  Al  Al133  1  0.672993  0.613439  0.577027  1
  Al  Al134  1  0.450568  0.168290  0.522755  1
  Al  Al135  1  0.423214  0.613437  0.577028  1
  Al  Al136  1  0.200503  0.168295  0.522754  1
  Al  Al137  1  0.367641  0.752492  0.563261  1
  Al  Al138  1  0.145014  0.307274  0.508618  1
  Al  Al139  1  0.395251  0.807749  0.507688  1
  Al  Al140  1  0.617191  0.251583  0.564637  1
  Al  Al141  1  0.561922  0.891412  0.549877  1
  Al  Al142  1  0.783512  0.335428  0.606357  1
  Al  Al143  1  0.312279  0.891409  0.549879  1
  Al  Al144  1  0.534697  0.335429  0.606357  1
  Al  Al145  1  0.867641  0.752492  0.563261  1
  Al  Al146  1  0.645014  0.307274  0.508618  1
  Al  Al147  1  0.895251  0.807749  0.507688  1
  Al  Al148  1  0.117191  0.251583  0.564637  1
  Al  Al149  1  0.061922  0.891412  0.549877  1
  Al  Al150  1  0.283512  0.335428  0.606357  1
  Al  Al151  1  0.812279  0.891409  0.549879  1
  Al  Al152  1  0.034697  0.335429  0.606357  1
  Al  Al153  1  0.978544  0.474312  0.591287  1
  Al  Al154  1  0.756238  0.029692  0.536451  1
  Al  Al155  1  0.006299  0.529847  0.535557  1
  Al  Al156  1  0.228712  0.974583  0.592298  1
  Al  Al157  1  0.172993  0.613439  0.577027  1
  Al  Al158  1  0.950568  0.168290  0.522755  1
  Al  Al159  1  0.923214  0.613437  0.577028  1
  Al  Al160  1  0.700503  0.168295  0.522754  1
  Al  Al161  1  0.923708  0.364778  0.700787  1
  Al  Al162  1  0.700797  0.918643  0.647369  1
  Al  Al163  1  0.951876  0.421020  0.646780  1
  Al  Al164  1  0.172263  0.861272  0.701056  1
  Al  Al165  1  0.119871  0.506815  0.687074  1
  Al  Al166  1  0.894547  0.056079  0.635152  1
  Al  Al167  1  0.869623  0.506805  0.687077  1
  Al  Al168  1  0.644429  0.056096  0.635145  1
  Al  Al169  1  0.812775  0.642913  0.674641  1
  Al  Al170  1  0.589719  0.196603  0.620981  1
  Al  Al171  1  0.839468  0.696164  0.618640  1
  Al  Al172  1  0.060279  0.137660  0.675907  1
  Al  Al173  1  0.006213  0.778755  0.659827  1
  Al  Al174  1  0.229903  0.226264  0.713381  1
  Al  Al175  1  0.755384  0.778751  0.659829  1
  Al  Al176  1  0.979113  0.226218  0.713386  1
  Al  Al177  1  0.312775  0.642913  0.674641  1
  Al  Al178  1  0.089719  0.196603  0.620981  1
  Al  Al179  1  0.339468  0.696164  0.618640  1
  Al  Al180  1  0.560279  0.137660  0.675907  1
  Al  Al181  1  0.506213  0.778755  0.659827  1
  Al  Al182  1  0.729903  0.226264  0.713381  1
  Al  Al183  1  0.255384  0.778751  0.659829  1
  Al  Al184  1  0.479113  0.226218  0.713386  1
  Al  Al185  1  0.423708  0.364778  0.700787  1
  Al  Al186  1  0.200797  0.918643  0.647369  1
  Al  Al187  1  0.451876  0.421020  0.646780  1
  Al  Al188  1  0.672263  0.861272  0.701056  1
  Al  Al189  1  0.619871  0.506815  0.687074  1
  Al  Al190  1  0.394547  0.056079  0.635152  1
  Al  Al191  1  0.369623  0.506805  0.687077  1
  Al  Al192  1  0.144429  0.056096  0.635145  1
