# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.49564313
_cell_length_b   34.70676551
_cell_length_c   51.09509794
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.16093265
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm360
_cell_volume   27074.9565622
_cell_formula_units_Z   360
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  0.578797  0.822565  0.292614  1
  Sm  Sm2  1  0.245463  0.655898  0.292614  1
  Sm  Sm3  1  0.360768  0.826384  0.259801  1
  Sm  Sm4  1  0.578797  0.322565  0.292614  1
  Sm  Sm5  1  0.694102  0.493051  0.259801  1
  Sm  Sm6  1  0.641660  0.658835  0.277523  1
  Sm  Sm7  1  0.912130  0.489231  0.292614  1
  Sm  Sm8  1  0.027435  0.659717  0.259801  1
  Sm  Sm9  1  0.974993  0.825501  0.277523  1
  Sm  Sm10  1  0.245463  0.155898  0.292614  1
  Sm  Sm11  1  0.360768  0.326384  0.259801  1
  Sm  Sm12  1  0.308327  0.492168  0.277523  1
  Sm  Sm13  1  0.694102  0.993051  0.259801  1
  Sm  Sm14  1  0.641660  0.158835  0.277523  1
  Sm  Sm15  1  0.912130  0.989231  0.292614  1
  Sm  Sm16  1  0.027435  0.159717  0.259801  1
  Sm  Sm17  1  0.974993  0.325501  0.277523  1
  Sm  Sm18  1  0.308327  0.992168  0.277523  1
  Sm  Sm19  1  0.885036  0.915091  0.243214  1
  Sm  Sm20  1  0.551703  0.748425  0.243214  1
  Sm  Sm21  1  0.493338  0.915626  0.257355  1
  Sm  Sm22  1  0.885036  0.415091  0.243214  1
  Sm  Sm23  1  0.826671  0.582293  0.257355  1
  Sm  Sm24  1  0.773677  0.749114  0.271344  1
  Sm  Sm25  1  0.218369  0.581758  0.243214  1
  Sm  Sm26  1  0.160005  0.748959  0.257355  1
  Sm  Sm27  1  0.107010  0.915780  0.271344  1
  Sm  Sm28  1  0.551703  0.248425  0.243214  1
  Sm  Sm29  1  0.493338  0.415626  0.257355  1
  Sm  Sm30  1  0.440343  0.582447  0.271344  1
  Sm  Sm31  1  0.826671  0.082293  0.257355  1
  Sm  Sm32  1  0.773677  0.249114  0.271344  1
  Sm  Sm33  1  0.218369  0.081758  0.243214  1
  Sm  Sm34  1  0.160005  0.248959  0.257355  1
  Sm  Sm35  1  0.107010  0.415780  0.271344  1
  Sm  Sm36  1  0.440343  0.082447  0.271344  1
  Sm  Sm37  1  0.391789  0.810414  0.338064  1
  Sm  Sm38  1  0.058456  0.643747  0.338064  1
  Sm  Sm39  1  0.186501  0.818861  0.308258  1
  Sm  Sm40  1  0.391789  0.310414  0.338064  1
  Sm  Sm41  1  0.519834  0.485528  0.308258  1
  Sm  Sm42  1  0.458349  0.646896  0.325298  1
  Sm  Sm43  1  0.725123  0.477081  0.338064  1
  Sm  Sm44  1  0.853168  0.652194  0.308258  1
  Sm  Sm45  1  0.791683  0.813563  0.325298  1
  Sm  Sm46  1  0.058456  0.143747  0.338064  1
  Sm  Sm47  1  0.186501  0.318861  0.308258  1
  Sm  Sm48  1  0.125016  0.480229  0.325298  1
  Sm  Sm49  1  0.519834  0.985528  0.308258  1
  Sm  Sm50  1  0.458349  0.146896  0.325298  1
  Sm  Sm51  1  0.725123  0.977081  0.338064  1
  Sm  Sm52  1  0.853168  0.152194  0.308258  1
  Sm  Sm53  1  0.791683  0.313563  0.325298  1
  Sm  Sm54  1  0.125016  0.980229  0.325298  1
  Sm  Sm55  1  0.712145  0.896961  0.286662  1
  Sm  Sm56  1  0.378811  0.730295  0.286662  1
  Sm  Sm57  1  0.312057  0.901277  0.304697  1
  Sm  Sm58  1  0.712145  0.396961  0.286662  1
  Sm  Sm59  1  0.645391  0.567943  0.304697  1
  Sm  Sm60  1  0.578042  0.733848  0.318965  1
  Sm  Sm61  1  0.045478  0.563628  0.286662  1
  Sm  Sm62  1  0.978724  0.734610  0.304697  1
  Sm  Sm63  1  0.911375  0.900515  0.318965  1
  Sm  Sm64  1  0.378811  0.230295  0.286662  1
  Sm  Sm65  1  0.312057  0.401277  0.304697  1
  Sm  Sm66  1  0.244709  0.567182  0.318965  1
  Sm  Sm67  1  0.645391  0.067943  0.304697  1
  Sm  Sm68  1  0.578042  0.233848  0.318965  1
  Sm  Sm69  1  0.045478  0.063628  0.286662  1
  Sm  Sm70  1  0.978724  0.234610  0.304697  1
  Sm  Sm71  1  0.911375  0.400515  0.318965  1
  Sm  Sm72  1  0.244709  0.067182  0.318965  1
  Sm  Sm73  1  0.197163  0.802572  0.384015  1
  Sm  Sm74  1  0.863830  0.635906  0.384015  1
  Sm  Sm75  1  0.994546  0.809265  0.354700  1
  Sm  Sm76  1  0.197163  0.302572  0.384015  1
  Sm  Sm77  1  0.327879  0.475932  0.354700  1
  Sm  Sm78  1  0.260341  0.639295  0.369127  1
  Sm  Sm79  1  0.530496  0.469239  0.384015  1
  Sm  Sm80  1  0.661213  0.642599  0.354700  1
  Sm  Sm81  1  0.593674  0.805961  0.369127  1
  Sm  Sm82  1  0.863830  0.135906  0.384015  1
  Sm  Sm83  1  0.994546  0.309265  0.354700  1
  Sm  Sm84  1  0.927008  0.472628  0.369127  1
  Sm  Sm85  1  0.327879  0.975932  0.354700  1
  Sm  Sm86  1  0.260341  0.139295  0.369127  1
  Sm  Sm87  1  0.530496  0.969239  0.384015  1
  Sm  Sm88  1  0.661213  0.142599  0.354700  1
  Sm  Sm89  1  0.593674  0.305961  0.369127  1
  Sm  Sm90  1  0.927008  0.972628  0.369127  1
  Sm  Sm91  1  0.510786  0.896921  0.333738  1
  Sm  Sm92  1  0.177453  0.730255  0.333738  1
  Sm  Sm93  1  0.109045  0.892825  0.348000  1
  Sm  Sm94  1  0.510786  0.396921  0.333738  1
  Sm  Sm95  1  0.442378  0.559492  0.348000  1
  Sm  Sm96  1  0.377228  0.723553  0.362409  1
  Sm  Sm97  1  0.844119  0.563588  0.333738  1
  Sm  Sm98  1  0.775712  0.726158  0.348000  1
  Sm  Sm99  1  0.710561  0.890220  0.362409  1
  Sm  Sm100  1  0.177453  0.230255  0.333738  1
  Sm  Sm101  1  0.109045  0.392825  0.348000  1
  Sm  Sm102  1  0.043895  0.556886  0.362409  1
  Sm  Sm103  1  0.442378  0.059492  0.348000  1
  Sm  Sm104  1  0.377228  0.223553  0.362409  1
  Sm  Sm105  1  0.844119  0.063588  0.333738  1
  Sm  Sm106  1  0.775712  0.226158  0.348000  1
  Sm  Sm107  1  0.710561  0.390220  0.362409  1
  Sm  Sm108  1  0.043895  0.056886  0.362409  1
  Sm  Sm109  1  0.999928  0.793286  0.429148  1
  Sm  Sm110  1  0.666595  0.626619  0.429148  1
  Sm  Sm111  1  0.797363  0.799472  0.399195  1
  Sm  Sm112  1  0.999928  0.293286  0.429148  1
  Sm  Sm113  1  0.130696  0.466139  0.399195  1
  Sm  Sm114  1  0.065137  0.629980  0.413935  1
  Sm  Sm115  1  0.333261  0.459953  0.429148  1
  Sm  Sm116  1  0.464029  0.632806  0.399195  1
  Sm  Sm117  1  0.398470  0.796647  0.413935  1
  Sm  Sm118  1  0.666595  0.126619  0.429148  1
  Sm  Sm119  1  0.797363  0.299472  0.399195  1
  Sm  Sm120  1  0.731804  0.463314  0.413935  1
  Sm  Sm121  1  0.130696  0.966139  0.399195  1
  Sm  Sm122  1  0.065137  0.129980  0.413935  1
  Sm  Sm123  1  0.333261  0.959953  0.429148  1
  Sm  Sm124  1  0.464029  0.132806  0.399195  1
  Sm  Sm125  1  0.398470  0.296647  0.413935  1
  Sm  Sm126  1  0.731804  0.963314  0.413935  1
  Sm  Sm127  1  0.311257  0.887067  0.377394  1
  Sm  Sm128  1  0.977924  0.720400  0.377394  1
  Sm  Sm129  1  0.911166  0.884291  0.392933  1
  Sm  Sm130  1  0.311257  0.387067  0.377394  1
  Sm  Sm131  1  0.244499  0.550957  0.392933  1
  Sm  Sm132  1  0.179922  0.714625  0.407871  1
  Sm  Sm133  1  0.644590  0.553733  0.377394  1
  Sm  Sm134  1  0.577833  0.717624  0.392933  1
  Sm  Sm135  1  0.513255  0.881291  0.407871  1
  Sm  Sm136  1  0.977924  0.220400  0.377394  1
  Sm  Sm137  1  0.911166  0.384291  0.392933  1
  Sm  Sm138  1  0.846589  0.547958  0.407871  1
  Sm  Sm139  1  0.244499  0.050957  0.392933  1
  Sm  Sm140  1  0.179922  0.214625  0.407871  1
  Sm  Sm141  1  0.644590  0.053733  0.377394  1
  Sm  Sm142  1  0.577833  0.217624  0.392933  1
  Sm  Sm143  1  0.513255  0.381291  0.407871  1
  Sm  Sm144  1  0.846589  0.047958  0.407871  1
  Sm  Sm145  1  0.803392  0.784042  0.473962  1
  Sm  Sm146  1  0.470058  0.617376  0.473962  1
  Sm  Sm147  1  0.601046  0.790346  0.443937  1
  Sm  Sm148  1  0.803392  0.284042  0.473962  1
  Sm  Sm149  1  0.934380  0.457012  0.443937  1
  Sm  Sm150  1  0.869003  0.620563  0.459020  1
  Sm  Sm151  1  0.136725  0.450709  0.473962  1
  Sm  Sm152  1  0.267713  0.623679  0.443937  1
  Sm  Sm153  1  0.202336  0.787230  0.459020  1
  Sm  Sm154  1  0.470058  0.117376  0.473962  1
  Sm  Sm155  1  0.601046  0.290346  0.443937  1
  Sm  Sm156  1  0.535670  0.453897  0.459020  1
  Sm  Sm157  1  0.934380  0.957012  0.443937  1
  Sm  Sm158  1  0.869003  0.120563  0.459020  1
  Sm  Sm159  1  0.136725  0.950709  0.473962  1
  Sm  Sm160  1  0.267713  0.123679  0.443937  1
  Sm  Sm161  1  0.202336  0.287230  0.459020  1
  Sm  Sm162  1  0.535670  0.953897  0.459020  1
  Sm  Sm163  1  0.114535  0.877761  0.422590  1
  Sm  Sm164  1  0.781201  0.711095  0.422590  1
  Sm  Sm165  1  0.715415  0.875064  0.437597  1
  Sm  Sm166  1  0.114535  0.377761  0.422590  1
  Sm  Sm167  1  0.048748  0.541731  0.437597  1
  Sm  Sm168  1  0.983336  0.705106  0.452639  1
  Sm  Sm169  1  0.447868  0.544428  0.422590  1
  Sm  Sm170  1  0.382082  0.708398  0.437597  1
  Sm  Sm171  1  0.316669  0.871773  0.452639  1
  Sm  Sm172  1  0.781201  0.211095  0.422590  1
  Sm  Sm173  1  0.715415  0.375064  0.437597  1
  Sm  Sm174  1  0.650003  0.538439  0.452639  1
  Sm  Sm175  1  0.048748  0.041731  0.437597  1
  Sm  Sm176  1  0.983336  0.205106  0.452639  1
  Sm  Sm177  1  0.447868  0.044428  0.422590  1
  Sm  Sm178  1  0.382082  0.208398  0.437597  1
  Sm  Sm179  1  0.316669  0.371773  0.452639  1
  Sm  Sm180  1  0.650003  0.038439  0.452639  1
  Sm  Sm181  1  0.606728  0.775094  0.519026  1
  Sm  Sm182  1  0.273395  0.608428  0.519026  1
  Sm  Sm183  1  0.404593  0.781083  0.488977  1
  Sm  Sm184  1  0.606728  0.275094  0.519026  1
  Sm  Sm185  1  0.737927  0.447750  0.488977  1
  Sm  Sm186  1  0.672515  0.611125  0.504019  1
  Sm  Sm187  1  0.940062  0.441761  0.519026  1
  Sm  Sm188  1  0.071260  0.614416  0.488977  1
  Sm  Sm189  1  1.005848  0.777791  0.504019  1
  Sm  Sm190  1  0.273395  0.108428  0.519026  1
  Sm  Sm191  1  0.404593  0.281083  0.488977  1
  Sm  Sm192  1  0.339181  0.444458  0.504019  1
  Sm  Sm193  1  0.737927  0.947750  0.488977  1
  Sm  Sm194  1  0.672515  0.111125  0.504019  1
  Sm  Sm195  1  0.940062  0.941761  0.519026  1
  Sm  Sm196  1  0.071260  0.114416  0.488977  1
  Sm  Sm197  1  1.005848  0.277791  0.504019  1
  Sm  Sm198  1  0.339181  0.944458  0.504019  1
  Sm  Sm199  1  0.917871  0.868813  0.467653  1
  Sm  Sm200  1  0.584538  0.702146  0.467653  1
  Sm  Sm201  1  0.518927  0.865626  0.482595  1
  Sm  Sm202  1  0.917871  0.368813  0.467653  1
  Sm  Sm203  1  0.852260  0.532292  0.482595  1
  Sm  Sm204  1  0.786883  0.695843  0.497679  1
  Sm  Sm205  1  0.251205  0.535480  0.467653  1
  Sm  Sm206  1  0.185593  0.698959  0.482595  1
  Sm  Sm207  1  0.120217  0.862510  0.497679  1
  Sm  Sm208  1  0.584538  0.202146  0.467653  1
  Sm  Sm209  1  0.518927  0.365626  0.482595  1
  Sm  Sm210  1  0.453550  0.529176  0.497679  1
  Sm  Sm211  1  0.852260  0.032292  0.482595  1
  Sm  Sm212  1  0.786883  0.195843  0.497679  1
  Sm  Sm213  1  0.251205  0.035480  0.467653  1
  Sm  Sm214  1  0.185593  0.198959  0.482595  1
  Sm  Sm215  1  0.120217  0.362510  0.497679  1
  Sm  Sm216  1  0.453550  0.029176  0.497679  1
  Sm  Sm217  1  0.410006  0.765789  0.564222  1
  Sm  Sm218  1  0.076673  0.599122  0.564222  1
  Sm  Sm219  1  0.208008  0.771564  0.533745  1
  Sm  Sm220  1  0.410006  0.265789  0.564222  1
  Sm  Sm221  1  0.541341  0.438231  0.533745  1
  Sm  Sm222  1  0.476764  0.601898  0.548683  1
  Sm  Sm223  1  0.743339  0.432456  0.564222  1
  Sm  Sm224  1  0.874674  0.604898  0.533745  1
  Sm  Sm225  1  0.810097  0.768565  0.548683  1
  Sm  Sm226  1  0.076673  0.099122  0.564222  1
  Sm  Sm227  1  0.208008  0.271564  0.533745  1
  Sm  Sm228  1  0.143430  0.435232  0.548683  1
  Sm  Sm229  1  0.541341  0.938231  0.533745  1
  Sm  Sm230  1  0.476764  0.101898  0.548683  1
  Sm  Sm231  1  0.743339  0.932456  0.564222  1
  Sm  Sm232  1  0.874674  0.104898  0.533745  1
  Sm  Sm233  1  0.810097  0.268565  0.548683  1
  Sm  Sm234  1  0.143430  0.935232  0.548683  1
  Sm  Sm235  1  0.721335  0.859569  0.512468  1
  Sm  Sm236  1  0.388002  0.692903  0.512468  1
  Sm  Sm237  1  0.322792  0.856209  0.527681  1
  Sm  Sm238  1  0.721335  0.359569  0.512468  1
  Sm  Sm239  1  0.656126  0.522875  0.527681  1
  Sm  Sm240  1  0.590567  0.686717  0.542421  1
  Sm  Sm241  1  0.054668  0.526236  0.512468  1
  Sm  Sm242  1  0.989459  0.689542  0.527681  1
  Sm  Sm243  1  0.923900  0.853383  0.542421  1
  Sm  Sm244  1  0.388002  0.192903  0.512468  1
  Sm  Sm245  1  0.322792  0.356209  0.527681  1
  Sm  Sm246  1  0.257234  0.520050  0.542421  1
  Sm  Sm247  1  0.656126  0.022875  0.527681  1
  Sm  Sm248  1  0.590567  0.186717  0.542421  1
  Sm  Sm249  1  0.054668  0.026236  0.512468  1
  Sm  Sm250  1  0.989459  0.189542  0.527681  1
  Sm  Sm251  1  0.923900  0.353383  0.542421  1
  Sm  Sm252  1  0.257234  0.020050  0.542421  1
  Sm  Sm253  1  0.210477  0.755934  0.607878  1
  Sm  Sm254  1  0.877144  0.589268  0.607878  1
  Sm  Sm255  1  1.010701  0.762636  0.579207  1
  Sm  Sm256  1  0.210477  0.255934  0.607878  1
  Sm  Sm257  1  0.344035  0.429303  0.579207  1
  Sm  Sm258  1  0.278884  0.593364  0.593616  1
  Sm  Sm259  1  0.543810  0.422601  0.607878  1
  Sm  Sm260  1  0.677368  0.595969  0.579207  1
  Sm  Sm261  1  0.612218  0.760031  0.593616  1
  Sm  Sm262  1  0.877144  0.089268  0.607878  1
  Sm  Sm263  1  1.010701  0.262636  0.579207  1
  Sm  Sm264  1  0.945551  0.426697  0.593616  1
  Sm  Sm265  1  0.344035  0.929303  0.579207  1
  Sm  Sm266  1  0.278884  0.093364  0.593616  1
  Sm  Sm267  1  0.543810  0.922601  0.607878  1
  Sm  Sm268  1  0.677368  0.095969  0.579207  1
  Sm  Sm269  1  0.612218  0.260031  0.593616  1
  Sm  Sm270  1  0.945551  0.926697  0.593616  1
  Sm  Sm271  1  0.524100  0.850283  0.557601  1
  Sm  Sm272  1  0.190767  0.683617  0.557601  1
  Sm  Sm273  1  0.127588  0.846894  0.572489  1
  Sm  Sm274  1  0.524100  0.350283  0.557601  1
  Sm  Sm275  1  0.460922  0.513561  0.572489  1
  Sm  Sm276  1  0.393383  0.676924  0.586916  1
  Sm  Sm277  1  0.857433  0.516950  0.557601  1
  Sm  Sm278  1  0.794255  0.680227  0.572489  1
  Sm  Sm279  1  0.726717  0.843590  0.586916  1
  Sm  Sm280  1  0.190767  0.183617  0.557601  1
  Sm  Sm281  1  0.127588  0.346894  0.572489  1
  Sm  Sm282  1  0.060050  0.510257  0.586916  1
  Sm  Sm283  1  0.460922  0.013561  0.572489  1
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