# generated using pymatgen
data_Sm3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   23.69316409
_cell_length_b   21.39081242
_cell_length_c   48.15070387
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   56.29597743
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Al
_chemical_formula_sum   'Sm252 Al84'
_cell_volume   20301.6821158
_cell_formula_units_Z   84
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  0.775618  0.680781  0.262010  1
  Sm  Sm2  1  0.275618  0.680781  0.262010  1
  Sm  Sm3  1  0.682466  0.999139  0.344209  1
  Sm  Sm4  1  0.800813  0.340216  0.271126  1
  Sm  Sm5  1  0.182466  0.999139  0.344209  1
  Sm  Sm6  1  0.300813  0.340216  0.271126  1
  Sm  Sm7  1  0.458298  0.654370  0.259439  1
  Sm  Sm8  1  0.958298  0.654370  0.259439  1
  Sm  Sm9  1  0.571579  0.028573  0.290757  1
  Sm  Sm10  1  0.628883  0.433136  0.253281  1
  Sm  Sm11  1  0.071579  0.028573  0.290757  1
  Sm  Sm12  1  0.128883  0.433136  0.253281  1
  Sm  Sm13  1  0.614668  0.680619  0.275993  1
  Sm  Sm14  1  0.114668  0.680619  0.275993  1
  Sm  Sm15  1  0.718979  0.015184  0.264047  1
  Sm  Sm16  1  0.552446  0.331086  0.302821  1
  Sm  Sm17  1  0.218979  0.015184  0.264047  1
  Sm  Sm18  1  0.052446  0.331086  0.302821  1
  Sm  Sm19  1  0.773119  0.509661  0.238328  1
  Sm  Sm20  1  0.273119  0.509661  0.238328  1
  Sm  Sm21  1  0.642429  0.827305  0.314097  1
  Sm  Sm22  1  0.700077  0.209994  0.256105  1
  Sm  Sm23  1  0.142429  0.827305  0.314097  1
  Sm  Sm24  1  0.200077  0.209994  0.256105  1
  Sm  Sm25  1  0.944396  0.499317  0.265517  1
  Sm  Sm26  1  0.444396  0.499317  0.265517  1
  Sm  Sm27  1  0.008010  0.927724  0.257668  1
  Sm  Sm28  1  0.880756  0.152211  0.283890  1
  Sm  Sm29  1  0.508010  0.927724  0.257668  1
  Sm  Sm30  1  0.380756  0.152211  0.283890  1
  Sm  Sm31  1  0.830855  0.491787  0.309690  1
  Sm  Sm32  1  0.330855  0.491787  0.309690  1
  Sm  Sm33  1  0.909588  0.850554  0.256426  1
  Sm  Sm34  1  0.022068  0.201669  0.248503  1
  Sm  Sm35  1  0.409588  0.850554  0.256426  1
  Sm  Sm36  1  0.522068  0.201669  0.248503  1
  Sm  Sm37  1  0.646287  0.616358  0.348943  1
  Sm  Sm38  1  0.146287  0.616358  0.348943  1
  Sm  Sm39  1  0.492510  0.852102  0.374892  1
  Sm  Sm40  1  0.569034  0.212556  0.365799  1
  Sm  Sm41  1  0.992510  0.852102  0.374892  1
  Sm  Sm42  1  0.069034  0.212556  0.365799  1
  Sm  Sm43  1  0.313880  0.534043  0.381566  1
  Sm  Sm44  1  0.813880  0.534043  0.381566  1
  Sm  Sm45  1  0.353572  0.930772  0.324123  1
  Sm  Sm46  1  0.440051  0.248964  0.317348  1
  Sm  Sm47  1  0.853572  0.930772  0.324123  1
  Sm  Sm48  1  0.940051  0.248964  0.317348  1
  Sm  Sm49  1  0.374656  0.639099  0.328118  1
  Sm  Sm50  1  0.874656  0.639099  0.328118  1
  Sm  Sm51  1  0.455206  0.006565  0.327319  1
  Sm  Sm52  1  0.322712  0.209182  0.362767  1
  Sm  Sm53  1  0.955206  0.006565  0.327319  1
  Sm  Sm54  1  0.822712  0.209182  0.362767  1
  Sm  Sm55  1  0.574209  0.508558  0.317712  1
  Sm  Sm56  1  0.074209  0.508558  0.317712  1
  Sm  Sm57  1  0.478534  0.721834  0.325780  1
  Sm  Sm58  1  0.499174  0.107778  0.367209  1
  Sm  Sm59  1  0.978534  0.721834  0.325780  1
  Sm  Sm60  1  0.999174  0.107778  0.367209  1
  Sm  Sm61  1  0.761759  0.403632  0.344950  1
  Sm  Sm62  1  0.261759  0.403632  0.344950  1
  Sm  Sm63  1  0.789751  0.825008  0.298809  1
  Sm  Sm64  1  0.654600  0.990824  0.411909  1
  Sm  Sm65  1  0.289751  0.825008  0.298809  1
  Sm  Sm66  1  0.154600  0.990824  0.411909  1
  Sm  Sm67  1  0.647265  0.323545  0.368564  1
  Sm  Sm68  1  0.147265  0.323545  0.368564  1
  Sm  Sm69  1  0.708622  0.769679  0.376369  1
  Sm  Sm70  1  0.737881  0.140334  0.323514  1
  Sm  Sm71  1  0.208622  0.769679  0.376369  1
  Sm  Sm72  1  0.237881  0.140334  0.323514  1
  Sm  Sm73  1  0.482629  0.476187  0.366327  1
  Sm  Sm74  1  0.982629  0.476187  0.366327  1
  Sm  Sm75  1  0.315764  0.778395  0.442325  1
  Sm  Sm76  1  0.364256  0.195248  0.436860  1
  Sm  Sm77  1  0.815764  0.778395  0.442325  1
  Sm  Sm78  1  0.864256  0.195248  0.436860  1
  Sm  Sm79  1  0.092946  0.456256  0.440591  1
  Sm  Sm80  1  0.592946  0.456256  0.440591  1
  Sm  Sm81  1  0.112283  0.854853  0.435249  1
  Sm  Sm82  1  0.223262  0.139247  0.398416  1
  Sm  Sm83  1  0.612283  0.854853  0.435249  1
  Sm  Sm84  1  0.723262  0.139247  0.398416  1
  Sm  Sm85  1  0.200247  0.519629  0.425652  1
  Sm  Sm86  1  0.700247  0.519629  0.425652  1
  Sm  Sm87  1  0.333018  0.813207  0.370963  1
  Sm  Sm88  1  0.127001  0.162935  0.451971  1
  Sm  Sm89  1  0.833018  0.813207  0.370963  1
  Sm  Sm90  1  0.627001  0.162935  0.451971  1
  Sm  Sm91  1  0.382984  0.324803  0.399111  1
  Sm  Sm92  1  0.882984  0.324803  0.399111  1
  Sm  Sm93  1  0.257930  0.644553  0.443023  1
  Sm  Sm94  1  0.320501  0.949771  0.413444  1
  Sm  Sm95  1  0.757930  0.644553  0.443023  1
  Sm  Sm96  1  0.820501  0.949771  0.413444  1
  Sm  Sm97  1  0.516241  0.345205  0.419192  1
  Sm  Sm98  1  0.016241  0.345205  0.419192  1
  Sm  Sm99  1  0.602737  0.703084  0.410301  1
  Sm  Sm100  1  0.452022  0.907184  0.459845  1
  Sm  Sm101  1  0.102737  0.703084  0.410301  1
  Sm  Sm102  1  0.952022  0.907184  0.459845  1
  Sm  Sm103  1  0.450429  0.261489  0.481042  1
  Sm  Sm104  1  0.950429  0.261489  0.481042  1
  Sm  Sm105  1  0.498185  0.633309  0.392601  1
  Sm  Sm106  1  0.443818  0.026464  0.410884  1
  Sm  Sm107  1  0.998185  0.633309  0.392601  1
  Sm  Sm108  1  0.943818  0.026464  0.410884  1
  Sm  Sm109  1  0.277134  0.371549  0.471343  1
  Sm  Sm110  1  0.777134  0.371549  0.471343  1
  Sm  Sm111  1  0.108377  0.630592  0.542841  1
  Sm  Sm112  1  0.250352  0.992657  0.479725  1
  Sm  Sm113  1  0.608377  0.630592  0.542841  1
  Sm  Sm114  1  0.750352  0.992657  0.479725  1
  Sm  Sm115  1  0.886152  0.350619  0.545087  1
  Sm  Sm116  1  0.386152  0.350619  0.545087  1
  Sm  Sm117  1  0.008018  0.645865  0.467390  1
  Sm  Sm118  1  0.041188  0.054476  0.463932  1
  Sm  Sm119  1  0.508018  0.645865  0.467390  1
  Sm  Sm120  1  0.541188  0.054476  0.463932  1
  Sm  Sm121  1  0.017965  0.373561  0.490923  1
  Sm  Sm122  1  0.517965  0.373561  0.490923  1
  Sm  Sm123  1  0.101689  0.718919  0.481570  1
  Sm  Sm124  1  0.905459  0.085354  0.495949  1
  Sm  Sm125  1  0.601689  0.718919  0.481570  1
  Sm  Sm126  1  0.405459  0.085354  0.495949  1
  Sm  Sm127  1  0.203264  0.264183  0.449222  1
  Sm  Sm128  1  0.703264  0.264183  0.449222  1
  Sm  Sm129  1  0.034506  0.523227  0.520721  1
  Sm  Sm130  1  0.061288  0.902118  0.512338  1
  Sm  Sm131  1  0.534506  0.523227  0.520721  1
  Sm  Sm132  1  0.561288  0.902118  0.512338  1
  Sm  Sm133  1  0.303623  0.248911  0.524673  1
  Sm  Sm134  1  0.803623  0.248911  0.524673  1
  Sm  Sm135  1  0.425488  0.544156  0.446976  1
  Sm  Sm136  1  0.270452  0.840299  0.528131  1
  Sm  Sm137  1  0.925488  0.544156  0.446976  1
  Sm  Sm138  1  0.770452  0.840299  0.528131  1
  Sm  Sm139  1  0.209952  0.175856  0.510493  1
  Sm  Sm140  1  0.709952  0.175856  0.510493  1
  Sm  Sm141  1  0.293676  0.521214  0.501141  1
  Sm  Sm142  1  0.406181  0.809421  0.496115  1
  Sm  Sm143  1  0.793676  0.521214  0.501141  1
  Sm  Sm144  1  0.906181  0.809421  0.496115  1
  Sm  Sm145  1  0.053711  0.250222  0.549041  1
  Sm  Sm146  1  0.553711  0.250222  0.549041  1
  Sm  Sm147  1  0.928657  0.569972  0.592953  1
  Sm  Sm148  1  0.991140  0.945004  0.578619  1
  Sm  Sm149  1  0.428657  0.569972  0.592953  1
  Sm  Sm150  1  0.491140  0.945004  0.578619  1
  Sm  Sm151  1  0.708904  0.191691  0.581762  1
  Sm  Sm152  1  0.208904  0.191691  0.581762  1
  Sm  Sm153  1  0.795399  0.549570  0.572872  1
  Sm  Sm154  1  0.859618  0.987591  0.532219  1
  Sm  Sm155  1  0.295399  0.549570  0.572872  1
  Sm  Sm156  1  0.359618  0.987591  0.532219  1
  Sm  Sm157  1  0.813455  0.261466  0.599463  1
  Sm  Sm158  1  0.313455  0.261466  0.599463  1
  Sm  Sm159  1  0.861212  0.633286  0.511022  1
  Sm  Sm160  1  0.867822  0.868311  0.581179  1
  Sm  Sm161  1  0.361212  0.633286  0.511022  1
  Sm  Sm162  1  0.367822  0.868311  0.581179  1
  Sm  Sm163  1  0.995876  0.116380  0.549738  1
  Sm  Sm164  1  0.495876  0.116380  0.549738  1
  Sm  Sm165  1  0.829011  0.418588  0.625737  1
  Sm  Sm166  1  0.947385  0.699527  0.555203  1
  Sm  Sm167  1  0.329011  0.418588  0.625737  1
  Sm  Sm168  1  0.447385  0.699527  0.555203  1
  Sm  Sm169  1  0.199358  0.039922  0.556815  1
  Sm  Sm170  1  0.699358  0.039922  0.556815  1
  Sm  Sm171  1  0.218695  0.438519  0.551472  1
  Sm  Sm172  1  0.088378  0.755528  0.593647  1
  Sm  Sm173  1  0.718695  0.438519  0.551472  1
  Sm  Sm174  1  0.588378  0.755528  0.593647  1
  Sm  Sm175  1  0.978623  0.081568  0.621100  1
  Sm  Sm176  1  0.478623  0.081568  0.621100  1
  Sm  Sm177  1  0.111394  0.375146  0.566412  1
  Sm  Sm178  1  0.184640  0.731840  0.540093  1
  Sm  Sm179  1  0.611394  0.375146  0.566412  1
  Sm  Sm180  1  0.684640  0.731840  0.540093  1
  Sm  Sm181  1  0.833106  0.172941  0.666284  1
  Sm  Sm182  1  0.333106  0.172941  0.666284  1
  Sm  Sm183  1  0.737431  0.386217  0.674352  1
  Sm  Sm184  1  0.812467  0.786998  0.624855  1
  Sm  Sm185  1  0.237431  0.386217  0.674352  1
  Sm  Sm186  1  0.312467  0.786998  0.624855  1
  Sm  Sm187  1  0.521890  0.069768  0.693254  1
  Sm  Sm188  1  0.021890  0.069768  0.693254  1
  Sm  Sm189  1  0.549882  0.491143  0.647113  1
  Sm  Sm190  1  0.657041  0.903951  0.580154  1
  Sm  Sm191  1  0.049882  0.491143  0.647113  1
  Sm  Sm192  1  0.157041  0.903951  0.580154  1
  Sm  Sm193  1  0.603019  0.125097  0.615695  1
  Sm  Sm194  1  0.103019  0.125097  0.615695  1
  Sm  Sm195  1  0.664376  0.571230  0.623499  1
  Sm  Sm196  1  0.573759  0.754441  0.668549  1
  Sm  Sm197  1  0.164376  0.571230  0.623499  1
  Sm  Sm198  1  0.073759  0.754441  0.668549  1
  Sm  Sm199  1  0.819130  0.042673  0.617171  1
  Sm  Sm200  1  0.319130  0.042673  0.617171  1
  Sm  Sm201  1  0.665354  0.278417  0.643121  1
  Sm  Sm202  1  0.742606  0.682219  0.626264  1
  Sm  Sm203  1  0.165354  0.278417  0.643121  1
  Sm  Sm204  1  0.242606  0.682219  0.626264  1
  Sm  Sm205  1  0.958068  0.964003  0.667941  1
  Sm  Sm206  1  0.458068  0.964003  0.667941  1
  Sm  Sm207  1  0.997760  0.360732  0.610498  1
  Sm  Sm208  1  0.871589  0.645812  0.674715  1
  Sm  Sm209  1  0.497760  0.360732  0.610498  1
  Sm  Sm210  1  0.371589  0.645812  0.674715  1
  Sm  Sm211  1  0.856435  0.888211  0.664745  1
  Sm  Sm212  1  0.356435  0.888211  0.664745  1
  Sm  Sm213  1  0.936985  0.255676  0.663946  1
  Sm  Sm214  1  0.988928  0.685593  0.629296  1
  Sm  Sm215  1  0.436985  0.255676  0.663946  1
  Sm  Sm216  1  0.488928  0.685593  0.629296  1
  Sm  Sm217  1  0.669212  0.067470  0.677967  1
  Sm  Sm218  1  0.169212  0.067470  0.677967  1
  Sm  Sm219  1  0.538522  0.385114  0.753736  1
  Sm  Sm220  1  0.611564  0.684781  0.735959  1
  Sm  Sm221  1  0.038522  0.385114  0.753736  1
  Sm  Sm222  1  0.111564  0.684781  0.735959  1
  Sm  Sm223  1  0.303630  0.967051  0.734395  1
  Sm  Sm224  1  0.803630  0.967051  0.734395  1
  Sm  Sm225  1  0.367244  0.395458  0.726547  1
  Sm  Sm226  1  0.430885  0.742565  0.708174  1
  Sm  Sm227  1  0.867244  0.395458  0.726547  1
  Sm  Sm228  1  0.930885  0.742565  0.708174  1
  Sm  Sm229  1  0.402053  0.044221  0.735638  1
  Sm  Sm230  1  0.902053  0.044221  0.735638  1
  Sm  Sm231  1  0.480786  0.402988  0.682373  1
  Sm  Sm232  1  0.289573  0.693107  0.743561  1
  Sm  Sm233  1  0.980786  0.402988  0.682373  1
  Sm  Sm234  1  0.789573  0.693107  0.743561  1
  Sm  Sm235  1  0.629175  0.895636  0.647855  1
  Sm  Sm236  1  0.129175  0.895636  0.647855  1
  Sm  Sm237  1  0.536023  0.213995  0.730054  1
  Sm  Sm238  1  0.510828  0.554560  0.720938  1
  Sm  Sm239  1  0.036023  0.213995  0.730054  1
  Sm  Sm240  1  0.010828  0.554560  0.720938  1
  Sm  Sm241  1  0.740062  0.866202  0.701306  1
  Sm  Sm242  1  0.240062  0.866202  0.701306  1
  Sm  Sm243  1  0.853342  0.240406  0.732624  1
  Sm  Sm244  1  0.682757  0.461639  0.738783  1
  Sm  Sm245  1  0.353342  0.240406  0.732624  1
  Sm  Sm246  1  0.182757  0.461639  0.738783  1
  Sm  Sm247  1  0.592662  0.879591  0.728017  1
  Sm  Sm248  1  0.092662  0.879591  0.728017  1
  Sm  Sm249  1  0.696972  0.214156  0.716071  1
  Sm  Sm250  1  0.759194  0.563689  0.689242  1
  Sm  Sm251  1  0.196972  0.214156  0.716071  1
  Sm  Sm252  1  0.259194  0.563689  0.689242  1
  Al  Al253  1  0.695034  0.508009  0.291568  1
  Al  Al254  1  0.195034  0.508009  0.291568  1
  Al  Al255  1  0.671770  0.877519  0.257831  1
  Al  Al256  1  0.607031  0.151950  0.303386  1
  Al  Al257  1  0.171770  0.877519  0.257831  1
  Al  Al258  1  0.107031  0.151950  0.303386  1
  Al  Al259  1  0.735643  0.659391  0.324031  1
  Al  Al260  1  0.235643  0.659391  0.324031  1
  Al  Al261  1  0.844928  0.032189  0.275645  1
  Al  Al262  1  0.921267  0.366631  0.267773  1
  Al  Al263  1  0.344928  0.032189  0.275645  1
  Al  Al264  1  0.421267  0.366631  0.267773  1
  Al  Al265  1  0.434578  0.374393  0.351735  1
  Al  Al266  1  0.934578  0.374393  0.351735  1
  Al  Al267  1  0.508075  0.837823  0.308197  1
  Al  Al268  1  0.348338  0.032564  0.367930  1
  Al  Al269  1  0.008075  0.837823  0.308197  1
  Al  Al270  1  0.848338  0.032564  0.367930  1
  Al  Al271  1  0.626943  0.480371  0.378802  1
  Al  Al272  1  0.126943  0.480371  0.378802  1
  Al  Al273  1  0.580905  0.934618  0.369752  1
  Al  Al274  1  0.706812  0.310250  0.308295  1
  Al  Al275  1  0.080905  0.934618  0.369752  1
  Al  Al276  1  0.206812  0.310250  0.308295  1
  Al  Al277  1  0.238794  0.353860  0.407135  1
  Al  Al278  1  0.738794  0.353860  0.407135  1
  Al  Al279  1  0.357034  0.647912  0.394355  1
  Al  Al280  1  0.181229  0.907864  0.472132  1
  Al  Al281  1  0.857034  0.647912  0.394355  1
  Al  Al282  1  0.681229  0.907864  0.472132  1
  Al  Al283  1  0.364829  0.440178  0.445276  1
  Al  Al284  1  0.864829  0.440178  0.445276  1
  Al  Al285  1  0.444261  0.784450  0.425454  1
  Al  Al286  1  0.510013  0.178176  0.420686  1
  Al  Al287  1  0.944261  0.784450  0.425454  1
  Al  Al288  1  0.010013  0.178176  0.420686  1
  Al  Al289  1  0.096196  0.125285  0.506883  1
  Al  Al290  1  0.596196  0.125285  0.506883  1
  Al  Al291  1  0.152688  0.525179  0.489866  1
  Al  Al292  1  1.002449  0.813948  0.538141  1
  Al  Al293  1  0.652688  0.525179  0.489866  1
  Al  Al294  1  0.502449  0.813948  0.538141  1
  Al  Al295  1  0.158952  0.369596  0.502197  1
  Al  Al296  1  0.658952  0.369596  0.502197  1
  Al  Al297  1  0.215445  0.769490  0.485180  1
  Al  Al298  1  0.309191  0.080827  0.453923  1
  Al  Al299  1  0.715445  0.769490  0.485180  1
  Al  Al300  1  0.809191  0.080827  0.453923  1
  Al  Al301  1  0.867379  0.110325  0.566610  1
  Al  Al302  1  0.367379  0.110325  0.566610  1
  Al  Al303  1  0.946812  0.454597  0.546787  1
  Al  Al304  1  0.801628  0.716599  0.571377  1
  Al  Al305  1  0.446812  0.454597  0.546787  1
  Al  Al306  1  0.301628  0.716599  0.571377  1
  Al  Al307  1  0.954606  0.246863  0.597709  1
  Al  Al308  1  0.454606  0.246863  0.597709  1
  Al  Al309  1  0.072846  0.540915  0.584928  1
  Al  Al310  1  0.130411  0.986911  0.519932  1
  Al  Al311  1  0.572846  0.540915  0.584928  1
  Al  Al312  1  0.630411  0.986911  0.519932  1
  Al  Al313  1  0.730736  0.960157  0.622311  1
  Al  Al314  1  0.230736  0.960157  0.622311  1
  Al  Al315  1  0.684697  0.414404  0.613262  1
  Al  Al316  1  0.604828  0.584525  0.683768  1
  Al  Al317  1  0.184697  0.414404  0.613262  1
  Al  Al318  1  0.104828  0.584525  0.683768  1
  Al  Al319  1  0.803566  0.056952  0.683867  1
  Al  Al320  1  0.303566  0.056952  0.683867  1
  Al  Al321  1  0.877062  0.520382  0.640328  1
  Al  Al322  1  0.963303  0.862211  0.624134  1
  Al  Al323  1  0.377062  0.520382  0.640328  1
  Al  Al324  1  0.463303  0.862211  0.624134  1
  Al  Al325  1  0.466712  0.862586  0.716419  1
  Al  Al326  1  0.966712  0.862586  0.716419  1
  Al  Al327  1  0.575998  0.235384  0.668033  1
  Al  Al328  1  0.390373  0.528145  0.724291  1
  Al  Al329  1  0.075998  0.235384  0.668033  1
  Al  Al330  1  0.890373  0.528145  0.724291  1
  Al  Al331  1  0.639870  0.017256  0.734233  1
  Al  Al332  1  0.139870  0.017256  0.734233  1
  Al  Al333  1  0.616607  0.386766  0.700496  1
  Al  Al334  1  0.704610  0.742826  0.688678  1
  Al  Al335  1  0.116607  0.386766  0.700496  1
  Al  Al336  1  0.204610  0.742826  0.688678  1
