# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.96449511
_cell_length_b   53.92390957
_cell_length_c   46.38343237
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.27187451
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm594
_cell_volume   46673.3082246
_cell_formula_units_Z   594
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  0.546242  0.792528  0.287905  1
  Sm  Sm2  1  0.212909  0.792528  0.287905  1
  Sm  Sm3  1  0.874193  0.305329  0.300257  1
  Sm  Sm4  1  0.879576  0.792528  0.287905  1
  Sm  Sm5  1  0.540860  0.305329  0.300257  1
  Sm  Sm6  1  0.207526  0.305329  0.300257  1
  Sm  Sm7  1  0.350261  0.858850  0.285940  1
  Sm  Sm8  1  0.016927  0.858850  0.285940  1
  Sm  Sm9  1  0.942678  0.372678  0.276186  1
  Sm  Sm10  1  0.683594  0.858850  0.285940  1
  Sm  Sm11  1  0.609344  0.372678  0.276186  1
  Sm  Sm12  1  0.276011  0.372678  0.276186  1
  Sm  Sm13  1  0.477324  0.928280  0.292965  1
  Sm  Sm14  1  0.143991  0.928280  0.292965  1
  Sm  Sm15  1  0.149366  0.411005  0.289842  1
  Sm  Sm16  1  0.810657  0.928280  0.292965  1
  Sm  Sm17  1  0.816033  0.411005  0.289842  1
  Sm  Sm18  1  0.482700  0.411005  0.289842  1
  Sm  Sm19  1  0.324020  0.459195  0.287905  1
  Sm  Sm20  1  0.990687  0.459195  0.287905  1
  Sm  Sm21  1  0.651971  0.971996  0.300257  1
  Sm  Sm22  1  0.657353  0.459195  0.287905  1
  Sm  Sm23  1  0.318637  0.971996  0.300257  1
  Sm  Sm24  1  0.985304  0.971996  0.300257  1
  Sm  Sm25  1  0.128039  0.525517  0.285940  1
  Sm  Sm26  1  0.794705  0.525517  0.285940  1
  Sm  Sm27  1  0.720455  0.039345  0.276186  1
  Sm  Sm28  1  0.461372  0.525517  0.285940  1
  Sm  Sm29  1  0.387122  0.039345  0.276186  1
  Sm  Sm30  1  0.053789  0.039345  0.276186  1
  Sm  Sm31  1  0.921769  0.594947  0.292965  1
  Sm  Sm32  1  0.588435  0.594947  0.292965  1
  Sm  Sm33  1  0.593811  0.077671  0.289842  1
  Sm  Sm34  1  0.255102  0.594947  0.292965  1
  Sm  Sm35  1  0.260477  0.077671  0.289842  1
  Sm  Sm36  1  0.927144  0.077671  0.289842  1
  Sm  Sm37  1  0.096415  0.638663  0.300257  1
  Sm  Sm38  1  0.763082  0.638663  0.300257  1
  Sm  Sm39  1  0.768465  0.125861  0.287905  1
  Sm  Sm40  1  0.429748  0.638663  0.300257  1
  Sm  Sm41  1  0.435131  0.125861  0.287905  1
  Sm  Sm42  1  0.101798  0.125861  0.287905  1
  Sm  Sm43  1  0.498233  0.706012  0.276186  1
  Sm  Sm44  1  0.164900  0.706012  0.276186  1
  Sm  Sm45  1  0.905817  0.192183  0.285940  1
  Sm  Sm46  1  0.831566  0.706012  0.276186  1
  Sm  Sm47  1  0.572483  0.192183  0.285940  1
  Sm  Sm48  1  0.239150  0.192183  0.285940  1
  Sm  Sm49  1  0.371588  0.744338  0.289842  1
  Sm  Sm50  1  0.038255  0.744338  0.289842  1
  Sm  Sm51  1  0.699546  0.261613  0.292965  1
  Sm  Sm52  1  0.704922  0.744338  0.289842  1
  Sm  Sm53  1  0.366213  0.261613  0.292965  1
  Sm  Sm54  1  0.032880  0.261613  0.292965  1
  Sm  Sm55  1  0.374433  0.798613  0.330549  1
  Sm  Sm56  1  0.041100  0.798613  0.330549  1
  Sm  Sm57  1  0.678906  0.297057  0.352959  1
  Sm  Sm58  1  0.707766  0.798613  0.330549  1
  Sm  Sm59  1  0.345572  0.297057  0.352959  1
  Sm  Sm60  1  0.012239  0.297057  0.352959  1
  Sm  Sm61  1  0.176430  0.855103  0.322190  1
  Sm  Sm62  1  0.843097  0.855103  0.322190  1
  Sm  Sm63  1  0.746721  0.348280  0.314929  1
  Sm  Sm64  1  0.509764  0.855103  0.322190  1
  Sm  Sm65  1  0.413387  0.348280  0.314929  1
  Sm  Sm66  1  0.080054  0.348280  0.314929  1
  Sm  Sm67  1  0.306720  0.911643  0.331889  1
  Sm  Sm68  1  0.973387  0.911643  0.331889  1
  Sm  Sm69  1  0.995473  0.410148  0.336501  1
  Sm  Sm70  1  0.640053  0.911643  0.331889  1
  Sm  Sm71  1  0.662140  0.410148  0.336501  1
  Sm  Sm72  1  0.328807  0.410148  0.336501  1
  Sm  Sm73  1  0.152211  0.465280  0.330549  1
  Sm  Sm74  1  0.818878  0.465280  0.330549  1
  Sm  Sm75  1  0.456683  0.963724  0.352959  1
  Sm  Sm76  1  0.485545  0.465280  0.330549  1
  Sm  Sm77  1  0.123350  0.963724  0.352959  1
  Sm  Sm78  1  0.790017  0.963724  0.352959  1
  Sm  Sm79  1  0.954208  0.521769  0.322190  1
  Sm  Sm80  1  0.620875  0.521769  0.322190  1
  Sm  Sm81  1  0.524498  0.014947  0.314929  1
  Sm  Sm82  1  0.287541  0.521769  0.322190  1
  Sm  Sm83  1  0.191165  0.014947  0.314929  1
  Sm  Sm84  1  0.857832  0.014947  0.314929  1
  Sm  Sm85  1  0.751164  0.578310  0.331889  1
  Sm  Sm86  1  0.417831  0.578310  0.331889  1
  Sm  Sm87  1  0.439918  0.076815  0.336501  1
  Sm  Sm88  1  0.084498  0.578310  0.331889  1
  Sm  Sm89  1  0.106584  0.076815  0.336501  1
  Sm  Sm90  1  0.773251  0.076815  0.336501  1
  Sm  Sm91  1  0.901128  0.630391  0.352959  1
  Sm  Sm92  1  0.567794  0.630391  0.352959  1
  Sm  Sm93  1  0.596656  0.131946  0.330549  1
  Sm  Sm94  1  0.234461  0.630391  0.352959  1
  Sm  Sm95  1  0.263322  0.131946  0.330549  1
  Sm  Sm96  1  0.929989  0.131946  0.330549  1
  Sm  Sm97  1  0.302276  0.681614  0.314929  1
  Sm  Sm98  1  0.968943  0.681614  0.314929  1
  Sm  Sm99  1  0.731986  0.188436  0.322190  1
  Sm  Sm100  1  0.635610  0.681614  0.314929  1
  Sm  Sm101  1  0.398653  0.188436  0.322190  1
  Sm  Sm102  1  0.065319  0.188436  0.322190  1
  Sm  Sm103  1  0.217695  0.743481  0.336501  1
  Sm  Sm104  1  0.884362  0.743481  0.336501  1
  Sm  Sm105  1  0.528942  0.244977  0.331889  1
  Sm  Sm106  1  0.551029  0.743481  0.336501  1
  Sm  Sm107  1  0.195609  0.244977  0.331889  1
  Sm  Sm108  1  0.862276  0.244977  0.331889  1
  Sm  Sm109  1  0.193674  0.796655  0.371630  1
  Sm  Sm110  1  0.860341  0.796655  0.371630  1
  Sm  Sm111  1  0.503929  0.295724  0.389301  1
  Sm  Sm112  1  0.527007  0.796655  0.371630  1
  Sm  Sm113  1  0.170596  0.295724  0.389301  1
  Sm  Sm114  1  0.837262  0.295724  0.389301  1
  Sm  Sm115  1  0.997574  0.851310  0.365167  1
  Sm  Sm116  1  0.664240  0.851310  0.365167  1
  Sm  Sm117  1  0.570372  0.352676  0.357166  1
  Sm  Sm118  1  0.330907  0.851310  0.365167  1
  Sm  Sm119  1  0.237039  0.352676  0.357166  1
  Sm  Sm120  1  0.903706  0.352676  0.357166  1
  Sm  Sm121  1  0.147004  0.904928  0.371384  1
  Sm  Sm122  1  0.813671  0.904928  0.371384  1
  Sm  Sm123  1  0.818742  0.406320  0.373732  1
  Sm  Sm124  1  0.480337  0.904928  0.371384  1
  Sm  Sm125  1  0.485409  0.406320  0.373732  1
  Sm  Sm126  1  0.152076  0.406320  0.373732  1
  Sm  Sm127  1  0.971452  0.463322  0.371631  1
  Sm  Sm128  1  0.638119  0.463322  0.371631  1
  Sm  Sm129  1  0.281707  0.962391  0.389301  1
  Sm  Sm130  1  0.304785  0.463322  0.371631  1
  Sm  Sm131  1  0.948373  0.962391  0.389301  1
  Sm  Sm132  1  0.615040  0.962391  0.389301  1
  Sm  Sm133  1  0.775352  0.517976  0.365167  1
  Sm  Sm134  1  0.442018  0.517976  0.365167  1
  Sm  Sm135  1  0.348150  0.019343  0.357166  1
  Sm  Sm136  1  0.108685  0.517976  0.365167  1
  Sm  Sm137  1  0.014817  0.019343  0.357166  1
  Sm  Sm138  1  0.681483  0.019343  0.357166  1
  Sm  Sm139  1  0.591449  0.571595  0.371384  1
  Sm  Sm140  1  0.258115  0.571595  0.371384  1
  Sm  Sm141  1  0.263187  0.072987  0.373732  1
  Sm  Sm142  1  0.924782  0.571595  0.371384  1
  Sm  Sm143  1  0.929853  0.072987  0.373732  1
  Sm  Sm144  1  0.596520  0.072987  0.373732  1
  Sm  Sm145  1  0.726151  0.629058  0.389301  1
  Sm  Sm146  1  0.392818  0.629058  0.389301  1
  Sm  Sm147  1  0.415896  0.129988  0.371630  1
  Sm  Sm148  1  0.059485  0.629058  0.389301  1
  Sm  Sm149  1  0.082563  0.129988  0.371630  1
  Sm  Sm150  1  0.749230  0.129988  0.371630  1
  Sm  Sm151  1  0.125928  0.686009  0.357166  1
  Sm  Sm152  1  0.792594  0.686009  0.357166  1
  Sm  Sm153  1  0.553129  0.184643  0.365167  1
  Sm  Sm154  1  0.459261  0.686009  0.357166  1
  Sm  Sm155  1  0.219796  0.184643  0.365167  1
  Sm  Sm156  1  0.886463  0.184643  0.365167  1
  Sm  Sm157  1  0.040964  0.739653  0.373732  1
  Sm  Sm158  1  0.707631  0.739653  0.373732  1
  Sm  Sm159  1  0.369226  0.238261  0.371384  1
  Sm  Sm160  1  0.374298  0.739653  0.373732  1
  Sm  Sm161  1  0.035893  0.238261  0.371384  1
  Sm  Sm162  1  0.702560  0.238261  0.371384  1
  Sm  Sm163  1  0.013980  0.791881  0.411164  1
  Sm  Sm164  1  0.680647  0.791881  0.411164  1
  Sm  Sm165  1  0.335665  0.292566  0.433672  1
  Sm  Sm166  1  0.347313  0.791881  0.411164  1
  Sm  Sm167  1  1.002332  0.292566  0.433672  1
  Sm  Sm168  1  0.668998  0.292566  0.433672  1
  Sm  Sm169  1  0.824945  0.849133  0.405319  1
  Sm  Sm170  1  0.491611  0.849133  0.405319  1
  Sm  Sm171  1  0.393913  0.351025  0.399169  1
  Sm  Sm172  1  0.158278  0.849133  0.405319  1
  Sm  Sm173  1  0.060580  0.351025  0.399169  1
  Sm  Sm174  1  0.727247  0.351025  0.399169  1
  Sm  Sm175  1  0.989622  0.904981  0.411355  1
  Sm  Sm176  1  0.656288  0.904981  0.411355  1
  Sm  Sm177  1  0.637626  0.404365  0.415259  1
  Sm  Sm178  1  0.322955  0.904981  0.411355  1
  Sm  Sm179  1  0.304293  0.404365  0.415259  1
  Sm  Sm180  1  0.970959  0.404365  0.415259  1
  Sm  Sm181  1  0.791758  0.458547  0.411164  1
  Sm  Sm182  1  0.458425  0.458547  0.411164  1
  Sm  Sm183  1  0.113443  0.959232  0.433672  1
  Sm  Sm184  1  0.125091  0.458547  0.411164  1
  Sm  Sm185  1  0.780109  0.959232  0.433672  1
  Sm  Sm186  1  0.446776  0.959232  0.433672  1
  Sm  Sm187  1  0.602723  0.515799  0.405319  1
  Sm  Sm188  1  0.269389  0.515799  0.405319  1
  Sm  Sm189  1  0.171691  0.017692  0.399169  1
  Sm  Sm190  1  0.936056  0.515799  0.405319  1
  Sm  Sm191  1  0.838358  0.017692  0.399169  1
  Sm  Sm192  1  0.505024  0.017692  0.399169  1
  Sm  Sm193  1  0.434066  0.571648  0.411356  1
  Sm  Sm194  1  0.100733  0.571648  0.411356  1
  Sm  Sm195  1  0.082070  0.071031  0.415259  1
  Sm  Sm196  1  0.767400  0.571648  0.411356  1
  Sm  Sm197  1  0.748737  0.071031  0.415259  1
  Sm  Sm198  1  0.415404  0.071031  0.415259  1
  Sm  Sm199  1  0.557887  0.625899  0.433672  1
  Sm  Sm200  1  0.224554  0.625899  0.433672  1
  Sm  Sm201  1  0.236202  0.125214  0.411164  1
  Sm  Sm202  1  0.891221  0.625899  0.433672  1
  Sm  Sm203  1  0.902869  0.125214  0.411164  1
  Sm  Sm204  1  0.569536  0.125214  0.411164  1
  Sm  Sm205  1  0.949469  0.684359  0.399169  1
  Sm  Sm206  1  0.616135  0.684359  0.399169  1
  Sm  Sm207  1  0.380500  0.182466  0.405319  1
  Sm  Sm208  1  0.282802  0.684359  0.399169  1
  Sm  Sm209  1  0.047167  0.182466  0.405319  1
  Sm  Sm210  1  0.713834  0.182466  0.405319  1
  Sm  Sm211  1  0.859848  0.737698  0.415259  1
  Sm  Sm212  1  0.526515  0.737698  0.415259  1
  Sm  Sm213  1  0.211844  0.238315  0.411356  1
  Sm  Sm214  1  0.193181  0.737698  0.415259  1
  Sm  Sm215  1  0.878511  0.238315  0.411356  1
  Sm  Sm216  1  0.545177  0.238315  0.411356  1
  Sm  Sm217  1  0.835374  0.790132  0.452540  1
  Sm  Sm218  1  0.502040  0.790132  0.452540  1
  Sm  Sm219  1  0.170830  0.289874  0.475409  1
  Sm  Sm220  1  0.168707  0.790132  0.452540  1
  Sm  Sm221  1  0.837496  0.289874  0.475409  1
  Sm  Sm222  1  0.504163  0.289874  0.475409  1
  Sm  Sm223  1  0.650887  0.846066  0.446593  1
  Sm  Sm224  1  0.317553  0.846066  0.446593  1
  Sm  Sm225  1  0.217632  0.348408  0.440746  1
  Sm  Sm226  1  0.984220  0.846066  0.446593  1
  Sm  Sm227  1  0.884298  0.348408  0.440746  1
  Sm  Sm228  1  0.550965  0.348408  0.440746  1
  Sm  Sm229  1  0.827177  0.901848  0.453157  1
  Sm  Sm230  1  0.493844  0.901848  0.453157  1
  Sm  Sm231  1  0.459118  0.401355  0.456074  1
  Sm  Sm232  1  0.160510  0.901848  0.453157  1
  Sm  Sm233  1  0.125785  0.401355  0.456074  1
  Sm  Sm234  1  0.792452  0.401355  0.456074  1
  Sm  Sm235  1  0.613152  0.456799  0.452540  1
  Sm  Sm236  1  0.279819  0.456799  0.452540  1
  Sm  Sm237  1  0.948607  0.956541  0.475408  1
  Sm  Sm238  1  0.946485  0.456799  0.452540  1
  Sm  Sm239  1  0.615274  0.956541  0.475408  1
  Sm  Sm240  1  0.281941  0.956541  0.475408  1
  Sm  Sm241  1  0.428665  0.512733  0.446593  1
  Sm  Sm242  1  0.095332  0.512733  0.446593  1
  Sm  Sm243  1  0.995409  0.015075  0.440746  1
  Sm  Sm244  1  0.761998  0.512733  0.446593  1
  Sm  Sm245  1  0.662076  0.015075  0.440746  1
  Sm  Sm246  1  0.328743  0.015075  0.440746  1
  Sm  Sm247  1  0.271622  0.568515  0.453157  1
  Sm  Sm248  1  0.938288  0.568515  0.453157  1
  Sm  Sm249  1  0.903562  0.068021  0.456074  1
  Sm  Sm250  1  0.604955  0.568515  0.453157  1
  Sm  Sm251  1  0.570229  0.068021  0.456074  1
  Sm  Sm252  1  0.236896  0.068021  0.456074  1
  Sm  Sm253  1  0.393052  0.623208  0.475408  1
  Sm  Sm254  1  0.059719  0.623208  0.475408  1
  Sm  Sm255  1  0.057596  0.123465  0.452540  1
  Sm  Sm256  1  0.726385  0.623208  0.475408  1
  Sm  Sm257  1  0.724263  0.123465  0.452540  1
  Sm  Sm258  1  0.390930  0.123465  0.452540  1
  Sm  Sm259  1  0.773187  0.681742  0.440746  1
  Sm  Sm260  1  0.439854  0.681742  0.440746  1
  Sm  Sm261  1  0.206443  0.179399  0.446593  1
  Sm  Sm262  1  0.106520  0.681742  0.440746  1
  Sm  Sm263  1  0.873109  0.179399  0.446593  1
  Sm  Sm264  1  0.539776  0.179399  0.446593  1
  Sm  Sm265  1  0.681340  0.734688  0.456074  1
  Sm  Sm266  1  0.348007  0.734688  0.456074  1
  Sm  Sm267  1  0.049399  0.235181  0.453157  1
  Sm  Sm268  1  0.014673  0.734688  0.456074  1
  Sm  Sm269  1  0.716066  0.235181  0.453157  1
  Sm  Sm270  1  0.382733  0.235181  0.453157  1
  Sm  Sm271  1  0.655416  0.786605  0.492711  1
  Sm  Sm272  1  0.322082  0.786605  0.492711  1
  Sm  Sm273  1  0.009295  0.286655  0.518609  1
  Sm  Sm274  1  0.988749  0.786605  0.492711  1
  Sm  Sm275  1  0.675961  0.286655  0.518609  1
  Sm  Sm276  1  0.342628  0.286655  0.518609  1
  Sm  Sm277  1  0.472881  0.843060  0.488393  1
  Sm  Sm278  1  0.139548  0.843060  0.488393  1
  Sm  Sm279  1  0.040661  0.345634  0.482673  1
  Sm  Sm280  1  0.806215  0.843060  0.488393  1
  Sm  Sm281  1  0.707328  0.345634  0.482673  1
  Sm  Sm282  1  0.373994  0.345634  0.482673  1
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  Sm  Sm576  1  0.171985  0.050235  0.703354  1
  Sm  Sm577  1  0.396825  0.578685  0.710978  1
  Sm  Sm578  1  0.063492  0.578685  0.710978  1
  Sm  Sm579  1  0.973451  0.115547  0.699918  1
  Sm  Sm580  1  0.730158  0.578685  0.710978  1
  Sm  Sm581  1  0.640117  0.115547  0.699918  1
  Sm  Sm582  1  0.306784  0.115547  0.699918  1
  Sm  Sm583  1  0.755456  0.659582  0.698944  1
  Sm  Sm584  1  0.422122  0.659582  0.698944  1
  Sm  Sm585  1  0.145869  0.168539  0.691978  1
  Sm  Sm586  1  0.088789  0.659582  0.698944  1
  Sm  Sm587  1  0.812535  0.168539  0.691978  1
  Sm  Sm588  1  0.479202  0.168539  0.691978  1
  Sm  Sm589  1  0.616429  0.716901  0.703354  1
  Sm  Sm590  1  0.283096  0.716901  0.703354  1
  Sm  Sm591  1  0.999243  0.201730  0.712325  1
  Sm  Sm592  1  0.949763  0.716901  0.703354  1
  Sm  Sm593  1  0.665909  0.201730  0.712325  1
  Sm  Sm594  1  0.332576  0.201730  0.712325  1
