# generated using pymatgen
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.38692434
_cell_length_b   16.31052982
_cell_length_c   47.52869928
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.73431299
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl
_chemical_formula_sum   'Sm96 Al96'
_cell_volume   11082.0034952
_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  0.122296  0.782904  0.311089  1
  Sm  Sm2  1  0.622296  0.782904  0.311089  1
  Sm  Sm3  1  0.267593  0.135421  0.297029  1
  Sm  Sm4  1  0.767593  0.135421  0.297029  1
  Sm  Sm5  1  0.015874  0.345215  0.289278  1
  Sm  Sm6  1  0.515874  0.345215  0.289278  1
  Sm  Sm7  1  0.838240  0.569855  0.319037  1
  Sm  Sm8  1  0.338240  0.569855  0.319037  1
  Sm  Sm9  1  0.223236  0.939708  0.312543  1
  Sm  Sm10  1  0.723236  0.939708  0.312543  1
  Sm  Sm11  1  0.052956  0.175796  0.345081  1
  Sm  Sm12  1  0.552956  0.175796  0.345081  1
  Sm  Sm13  1  0.795790  0.377545  0.327904  1
  Sm  Sm14  1  0.295790  0.377545  0.327904  1
  Sm  Sm15  1  0.932875  0.731304  0.320121  1
  Sm  Sm16  1  0.432875  0.731304  0.320121  1
  Sm  Sm17  1  0.960722  0.606843  0.385135  1
  Sm  Sm18  1  0.460722  0.606843  0.385135  1
  Sm  Sm19  1  0.098428  0.949528  0.374817  1
  Sm  Sm20  1  0.598428  0.949528  0.374817  1
  Sm  Sm21  1  0.847548  0.159814  0.362711  1
  Sm  Sm22  1  0.347548  0.159814  0.362711  1
  Sm  Sm23  1  0.672545  0.407870  0.392196  1
  Sm  Sm24  1  0.172545  0.407870  0.392196  1
  Sm  Sm25  1  0.066483  0.757210  0.386148  1
  Sm  Sm26  1  0.566483  0.757210  0.386148  1
  Sm  Sm27  1  0.890849  0.002447  0.417144  1
  Sm  Sm28  1  0.390849  0.002447  0.417144  1
  Sm  Sm29  1  0.642089  0.213365  0.405650  1
  Sm  Sm30  1  0.142089  0.213365  0.405650  1
  Sm  Sm31  1  0.777085  0.558014  0.393312  1
  Sm  Sm32  1  0.277085  0.558014  0.393312  1
  Sm  Sm33  1  0.803769  0.435028  0.456205  1
  Sm  Sm34  1  0.303769  0.435028  0.456205  1
  Sm  Sm35  1  0.934127  0.781084  0.445955  1
  Sm  Sm36  1  0.434127  0.781084  0.445955  1
  Sm  Sm37  1  0.687940  0.991249  0.433727  1
  Sm  Sm38  1  0.187940  0.991249  0.433727  1
  Sm  Sm39  1  0.511621  0.238219  0.464682  1
  Sm  Sm40  1  0.011621  0.238219  0.464682  1
  Sm  Sm41  1  0.906682  0.586785  0.457895  1
  Sm  Sm42  1  0.406682  0.586785  0.457895  1
  Sm  Sm43  1  0.730978  0.833454  0.488752  1
  Sm  Sm44  1  0.230978  0.833454  0.488752  1
  Sm  Sm45  1  0.484572  0.044181  0.475972  1
  Sm  Sm46  1  0.984572  0.044181  0.475972  1
  Sm  Sm47  1  0.615473  0.389827  0.465016  1
  Sm  Sm48  1  0.115473  0.389827  0.465016  1
  Sm  Sm49  1  0.643791  0.266250  0.528562  1
  Sm  Sm50  1  0.143791  0.266250  0.528562  1
  Sm  Sm51  1  0.774692  0.611896  0.517606  1
  Sm  Sm52  1  0.274692  0.611896  0.517606  1
  Sm  Sm53  1  0.528286  0.822623  0.504826  1
  Sm  Sm54  1  0.028286  0.822623  0.504826  1
  Sm  Sm55  1  0.352582  0.069292  0.535683  1
  Sm  Sm56  1  0.852582  0.069292  0.535683  1
  Sm  Sm57  1  0.747643  0.417858  0.528896  1
  Sm  Sm58  1  0.247643  0.417858  0.528896  1
  Sm  Sm59  1  0.571325  0.664828  0.559851  1
  Sm  Sm60  1  0.071325  0.664828  0.559851  1
  Sm  Sm61  1  0.325137  0.874993  0.547623  1
  Sm  Sm62  1  0.825137  0.874993  0.547623  1
  Sm  Sm63  1  0.455495  0.221049  0.537373  1
  Sm  Sm64  1  0.955495  0.221049  0.537373  1
  Sm  Sm65  1  0.482179  0.098063  0.600266  1
  Sm  Sm66  1  0.982179  0.098063  0.600266  1
  Sm  Sm67  1  0.617175  0.442712  0.587928  1
  Sm  Sm68  1  0.117175  0.442712  0.587928  1
  Sm  Sm69  1  0.368415  0.653630  0.576434  1
  Sm  Sm70  1  0.868415  0.653630  0.576434  1
  Sm  Sm71  1  0.192781  0.898867  0.607430  1
  Sm  Sm72  1  0.692781  0.898867  0.607430  1
  Sm  Sm73  1  0.586719  0.248207  0.601382  1
  Sm  Sm74  1  0.086719  0.248207  0.601382  1
  Sm  Sm75  1  0.411716  0.496262  0.630867  1
  Sm  Sm76  1  0.911716  0.496262  0.630867  1
  Sm  Sm77  1  0.160836  0.706549  0.618761  1
  Sm  Sm78  1  0.660836  0.706549  0.618761  1
  Sm  Sm79  1  0.298542  0.049234  0.608443  1
  Sm  Sm80  1  0.798542  0.049234  0.608443  1
  Sm  Sm81  1  0.326389  0.924773  0.673457  1
  Sm  Sm82  1  0.826389  0.924773  0.673457  1
  Sm  Sm83  1  0.463474  0.278532  0.665675  1
  Sm  Sm84  1  0.963474  0.278532  0.665675  1
  Sm  Sm85  1  0.206308  0.480281  0.648497  1
  Sm  Sm86  1  0.706308  0.480281  0.648497  1
  Sm  Sm87  1  0.036028  0.716369  0.681035  1
  Sm  Sm88  1  0.536028  0.716369  0.681035  1
  Sm  Sm89  1  0.421024  0.086222  0.674541  1
  Sm  Sm90  1  0.921024  0.086222  0.674541  1
  Sm  Sm91  1  0.243390  0.310862  0.704300  1
  Sm  Sm92  1  0.743390  0.310862  0.704300  1
  Sm  Sm93  1  0.991671  0.520656  0.696549  1
  Sm  Sm94  1  0.491671  0.520656  0.696549  1
  Sm  Sm95  1  0.136968  0.873173  0.682489  1
  Sm  Sm96  1  0.636968  0.873173  0.682489  1
  Al  Al97  1  0.998781  0.020226  0.315651  1
  Al  Al98  1  0.498781  0.020226  0.315651  1
  Al  Al99  1  0.059838  0.487815  0.327792  1
  Al  Al100  1  0.559838  0.487815  0.327792  1
  Al  Al101  1  0.917248  0.919363  0.290428  1
  Al  Al102  1  0.417248  0.919363  0.290428  1
  Al  Al103  1  0.154076  0.297017  0.340842  1
  Al  Al104  1  0.654076  0.297017  0.340842  1
  Al  Al105  1  0.921021  0.932267  0.347507  1
  Al  Al106  1  0.421021  0.932267  0.347507  1
  Al  Al107  1  0.145247  0.572659  0.292911  1
  Al  Al108  1  0.645247  0.572659  0.292911  1
  Al  Al109  1  0.924336  0.198239  0.295398  1
  Al  Al110  1  0.424336  0.198239  0.295398  1
  Al  Al111  1  0.138709  0.587961  0.347709  1
  Al  Al112  1  0.638709  0.587961  0.347709  1
  Al  Al113  1  0.838769  0.848220  0.381677  1
  Al  Al114  1  0.338769  0.848220  0.381677  1
  Al  Al115  1  0.897315  0.316607  0.394155  1
  Al  Al116  1  0.397315  0.316607  0.394155  1
  Al  Al117  1  0.760428  0.746942  0.358933  1
  Al  Al118  1  0.260428  0.746942  0.358933  1
  Al  Al119  1  0.995804  0.131133  0.410320  1
  Al  Al120  1  0.495804  0.131133  0.410320  1
  Al  Al121  1  0.759500  0.762622  0.417511  1
  Al  Al122  1  0.259500  0.762622  0.417511  1
  Al  Al123  1  0.975097  0.401159  0.359939  1
  Al  Al124  1  0.475097  0.401159  0.359939  1
  Al  Al125  1  0.744208  0.036078  0.367694  1
  Al  Al126  1  0.244208  0.036078  0.367694  1
  Al  Al127  1  0.977835  0.415504  0.417677  1
  Al  Al128  1  0.477835  0.415504  0.417677  1
  Al  Al129  1  0.679800  0.678108  0.454038  1
  Al  Al130  1  0.179800  0.678108  0.454038  1
  Al  Al131  1  0.739617  0.146716  0.467877  1
  Al  Al132  1  0.239617  0.146716  0.467877  1
  Al  Al133  1  0.600269  0.578906  0.431851  1
  Al  Al134  1  0.100269  0.578906  0.431851  1
  Al  Al135  1  0.835608  0.960757  0.482361  1
  Al  Al136  1  0.335608  0.960757  0.482361  1
  Al  Al137  1  0.599977  0.593514  0.489582  1
  Al  Al138  1  0.099977  0.593514  0.489582  1
  Al  Al139  1  0.819197  0.231942  0.431893  1
  Al  Al140  1  0.319197  0.231942  0.431893  1
  Al  Al141  1  0.583728  0.864066  0.439814  1
  Al  Al142  1  0.083728  0.864066  0.439814  1
  Al  Al143  1  0.818878  0.246376  0.489644  1
  Al  Al144  1  0.318878  0.246376  0.489644  1
  Al  Al145  1  0.519647  0.509361  0.525701  1
  Al  Al146  1  0.019647  0.509361  0.525701  1
  Al  Al147  1  0.579464  0.977969  0.539540  1
  Al  Al148  1  0.079464  0.977969  0.539540  1
  Al  Al149  1  0.440386  0.409701  0.503935  1
  Al  Al150  1  0.940386  0.409701  0.503935  1
  Al  Al151  1  0.675536  0.792011  0.553764  1
  Al  Al152  1  0.175536  0.792011  0.553764  1
  Al  Al153  1  0.440067  0.424135  0.561685  1
  Al  Al154  1  0.940067  0.424135  0.561685  1
  Al  Al155  1  0.659287  0.062563  0.503996  1
  Al  Al156  1  0.159287  0.062563  0.503996  1
  Al  Al157  1  0.423656  0.695320  0.511217  1
  Al  Al158  1  0.923656  0.695320  0.511217  1
  Al  Al159  1  0.658995  0.077171  0.561727  1
  Al  Al160  1  0.158995  0.077171  0.561727  1
  Al  Al161  1  0.361949  0.339470  0.599423  1
  Al  Al162  1  0.861949  0.339470  0.599423  1
  Al  Al163  1  0.420495  0.807857  0.611901  1
  Al  Al164  1  0.920495  0.807857  0.611901  1
  Al  Al165  1  0.281429  0.240573  0.575902  1
  Al  Al166  1  0.781429  0.240573  0.575902  1
  Al  Al167  1  0.515056  0.619999  0.625884  1
  Al  Al168  1  0.015056  0.619999  0.625884  1
  Al  Al169  1  0.284167  0.254918  0.633639  1
  Al  Al170  1  0.784167  0.254918  0.633639  1
  Al  Al171  1  0.499764  0.893455  0.576067  1
  Al  Al172  1  0.999764  0.893455  0.576067  1
  Al  Al173  1  0.263460  0.524944  0.583258  1
  Al  Al174  1  0.763460  0.524944  0.583258  1
  Al  Al175  1  0.498836  0.909135  0.634646  1
  Al  Al176  1  0.998836  0.909135  0.634646  1
  Al  Al177  1  0.199426  0.168261  0.665786  1
  Al  Al178  1  0.699426  0.168261  0.665786  1
  Al  Al179  1  0.260483  0.635851  0.677927  1
  Al  Al180  1  0.760483  0.635851  0.677927  1
  Al  Al181  1  0.120555  0.068116  0.645869  1
  Al  Al182  1  0.620555  0.068116  0.645869  1
  Al  Al183  1  0.334928  0.457838  0.698180  1
  Al  Al184  1  0.834928  0.457838  0.698180  1
  Al  Al185  1  0.114017  0.083418  0.700667  1
  Al  Al186  1  0.614017  0.083418  0.700667  1
  Al  Al187  1  0.338243  0.723810  0.646071  1
  Al  Al188  1  0.838243  0.723810  0.646071  1
  Al  Al189  1  0.105188  0.359060  0.652736  1
  Al  Al190  1  0.605188  0.359060  0.652736  1
  Al  Al191  1  0.342016  0.736714  0.703150  1
  Al  Al192  1  0.842016  0.736714  0.703150  1
