# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14450830
_cell_length_b   78.97246854
_cell_length_c   48.41580612
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.31824742
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm297
_cell_volume   23474.3960548
_cell_formula_units_Z   297
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  0.242216  0.208309  0.257902  1
  Sm  Sm2  1  0.418792  0.542887  0.268157  1
  Sm  Sm3  1  0.381956  0.880386  0.299391  1
  Sm  Sm4  1  0.660362  0.247064  0.262261  1
  Sm  Sm5  1  0.837757  0.581033  0.273740  1
  Sm  Sm6  1  0.833348  0.916101  0.298062  1
  Sm  Sm7  1  0.078284  0.285243  0.266975  1
  Sm  Sm8  1  0.255217  0.619037  0.279041  1
  Sm  Sm9  1  0.402079  0.952015  0.293568  1
  Sm  Sm10  1  0.835327  0.990663  0.297807  1
  Sm  Sm11  1  0.496797  0.323472  0.271077  1
  Sm  Sm12  1  0.674536  0.657052  0.283638  1
  Sm  Sm13  1  0.724716  0.036719  0.265491  1
  Sm  Sm14  1  0.947660  0.359330  0.269601  1
  Sm  Sm15  1  0.125607  0.692706  0.282396  1
  Sm  Sm16  1  0.188301  0.068921  0.269956  1
  Sm  Sm17  1  0.519641  0.395076  0.264321  1
  Sm  Sm18  1  0.694036  0.728401  0.277803  1
  Sm  Sm19  1  0.682731  0.096472  0.267681  1
  Sm  Sm20  1  0.955814  0.432990  0.268916  1
  Sm  Sm21  1  0.125795  0.766336  0.283686  1
  Sm  Sm22  1  0.225538  0.128884  0.263638  1
  Sm  Sm23  1  0.411523  0.468884  0.268009  1
  Sm  Sm24  1  0.544539  0.804443  0.289408  1
  Sm  Sm25  1  0.821442  0.169577  0.253742  1
  Sm  Sm26  1  0.985853  0.504893  0.262495  1
  Sm  Sm27  1  0.962012  0.842421  0.294808  1
  Sm  Sm28  1  0.764965  0.209001  0.298647  1
  Sm  Sm29  1  0.940233  0.542364  0.309634  1
  Sm  Sm30  1  0.890219  0.880091  0.341768  1
  Sm  Sm31  1  0.180998  0.247069  0.303502  1
  Sm  Sm32  1  0.355097  0.580542  0.315223  1
  Sm  Sm33  1  0.323947  0.917090  0.343839  1
  Sm  Sm34  1  0.595564  0.285219  0.308309  1
  Sm  Sm35  1  0.770641  0.618520  0.320597  1
  Sm  Sm36  1  0.927902  0.952265  0.336270  1
  Sm  Sm37  1  0.352459  0.988447  0.341397  1
  Sm  Sm38  1  1.007825  0.323561  0.313165  1
  Sm  Sm39  1  0.183672  0.656799  0.325954  1
  Sm  Sm40  1  0.246073  0.027302  0.306545  1
  Sm  Sm41  1  0.440681  0.360687  0.315030  1
  Sm  Sm42  1  0.617376  0.693789  0.328215  1
  Sm  Sm43  1  0.665899  0.065291  0.317552  1
  Sm  Sm44  1  0.050089  0.395999  0.306905  1
  Sm  Sm45  1  0.224500  0.728868  0.320511  1
  Sm  Sm46  1  0.121552  0.100499  0.318984  1
  Sm  Sm47  1  0.472066  0.433146  0.311161  1
  Sm  Sm48  1  0.646685  0.765708  0.325178  1
  Sm  Sm49  1  0.727418  0.135569  0.306946  1
  Sm  Sm50  1  0.908177  0.470313  0.313215  1
  Sm  Sm51  1  0.061430  0.803863  0.330919  1
  Sm  Sm52  1  0.346020  0.170975  0.294322  1
  Sm  Sm53  1  0.517544  0.505475  0.305066  1
  Sm  Sm54  1  0.476995  0.841823  0.336402  1
  Sm  Sm55  1  0.309470  0.210990  0.338490  1
  Sm  Sm56  1  0.480197  0.543861  0.349564  1
  Sm  Sm57  1  0.418775  0.881043  0.382177  1
  Sm  Sm58  1  0.720791  0.249045  0.343287  1
  Sm  Sm59  1  0.892732  0.581916  0.355055  1
  Sm  Sm60  1  0.842655  0.918037  0.385546  1
  Sm  Sm61  1  0.132420  0.286927  0.348058  1
  Sm  Sm62  1  0.305683  0.619824  0.360427  1
  Sm  Sm63  1  0.472308  0.953188  0.376571  1
  Sm  Sm64  1  0.892136  0.990281  0.381155  1
  Sm  Sm65  1  0.539028  0.324973  0.353437  1
  Sm  Sm66  1  0.713257  0.657839  0.366312  1
  Sm  Sm67  1  0.769118  0.026479  0.347540  1
  Sm  Sm68  1  0.960416  0.362079  0.356340  1
  Sm  Sm69  1  0.136108  0.694902  0.369689  1
  Sm  Sm70  1  0.182084  0.064248  0.355671  1
  Sm  Sm71  1  0.593112  0.397512  0.346144  1
  Sm  Sm72  1  0.768930  0.730292  0.359971  1
  Sm  Sm73  1  0.620035  0.101628  0.358222  1
  Sm  Sm74  1  1.005692  0.434461  0.351510  1
  Sm  Sm75  1  0.186151  0.767110  0.365155  1
  Sm  Sm76  1  0.254148  0.138559  0.348104  1
  Sm  Sm77  1  0.429471  0.471642  0.354664  1
  Sm  Sm78  1  0.598502  0.805138  0.370776  1
  Sm  Sm79  1  0.892353  0.174387  0.334340  1
  Sm  Sm80  1  0.062776  0.506966  0.344446  1
  Sm  Sm81  1  1.011378  0.843018  0.376260  1
  Sm  Sm82  1  0.849709  0.212893  0.377731  1
  Sm  Sm83  1  1.020448  0.545437  0.388728  1
  Sm  Sm84  1  0.956698  0.882513  0.421201  1
  Sm  Sm85  1  0.259641  0.250859  0.382509  1
  Sm  Sm86  1  0.432029  0.583485  0.394219  1
  Sm  Sm87  1  0.374250  0.919396  0.425912  1
  Sm  Sm88  1  0.671135  0.288698  0.387203  1
  Sm  Sm89  1  0.844414  0.621335  0.399546  1
  Sm  Sm90  1  1.016413  0.954659  0.414857  1
  Sm  Sm91  1  0.432767  0.991586  0.420998  1
  Sm  Sm92  1  0.077585  0.326821  0.392364  1
  Sm  Sm93  1  0.251697  0.659446  0.405273  1
  Sm  Sm94  1  0.311458  0.028090  0.387254  1
  Sm  Sm95  1  0.493449  0.363746  0.396484  1
  Sm  Sm96  1  0.668688  0.696359  0.409882  1
  Sm  Sm97  1  0.721930  0.066015  0.394747  1
  Sm  Sm98  1  0.136445  0.398809  0.384959  1
  Sm  Sm99  1  0.312258  0.731496  0.398771  1
  Sm  Sm100  1  0.144875  0.103059  0.398907  1
  Sm  Sm101  1  0.545514  0.436143  0.390462  1
  Sm  Sm102  1  0.725976  0.768613  0.404338  1
  Sm  Sm103  1  0.791097  0.139392  0.386424  1
  Sm  Sm104  1  0.962987  0.473179  0.394785  1
  Sm  Sm105  1  0.137475  0.806620  0.409958  1
  Sm  Sm106  1  0.437643  0.175948  0.373305  1
  Sm  Sm107  1  0.606626  0.508311  0.383323  1
  Sm  Sm108  1  0.549668  0.844449  0.415377  1
  Sm  Sm109  1  0.387159  0.214397  0.417608  1
  Sm  Sm110  1  0.558610  0.546727  0.428521  1
  Sm  Sm111  1  0.495811  0.883877  0.460895  1
  Sm  Sm112  1  0.796557  0.252458  0.422452  1
  Sm  Sm113  1  0.969586  0.584858  0.434107  1
  Sm  Sm114  1  0.910259  0.920805  0.465814  1
  Sm  Sm115  1  0.208111  0.290385  0.427010  1
  Sm  Sm116  1  0.381782  0.622802  0.439322  1
  Sm  Sm117  1  0.556404  0.955825  0.455038  1
  Sm  Sm118  1  0.970536  0.992712  0.461001  1
  Sm  Sm119  1  0.616447  0.328456  0.432097  1
  Sm  Sm120  1  0.790758  0.660871  0.444988  1
  Sm  Sm121  1  0.849232  0.029412  0.427258  1
  Sm  Sm122  1  0.029226  0.365390  0.436496  1
  Sm  Sm123  1  0.204559  0.697804  0.449893  1
  Sm  Sm124  1  0.258737  0.067308  0.434000  1
  Sm  Sm125  1  0.675153  0.400418  0.424741  1
  Sm  Sm126  1  0.850832  0.732848  0.438672  1
  Sm  Sm127  1  0.676528  0.104449  0.438397  1
  Sm  Sm128  1  0.085782  0.437554  0.430009  1
  Sm  Sm129  1  0.263878  0.769816  0.444134  1
  Sm  Sm130  1  0.328334  0.141125  0.426170  1
  Sm  Sm131  1  0.499447  0.474697  0.434780  1
  Sm  Sm132  1  0.674781  0.807925  0.449852  1
  Sm  Sm133  1  0.975038  0.177371  0.413319  1
  Sm  Sm134  1  0.145610  0.509737  0.423222  1
  Sm  Sm135  1  0.086901  0.845837  0.455166  1
  Sm  Sm136  1  0.924099  0.215904  0.457266  1
  Sm  Sm137  1  0.096050  0.548049  0.468253  1
  Sm  Sm138  1  0.033468  0.885193  0.500582  1
  Sm  Sm139  1  0.332538  0.253995  0.462129  1
  Sm  Sm140  1  0.506185  0.586192  0.473786  1
  Sm  Sm141  1  0.447579  0.922132  0.505825  1
  Sm  Sm142  1  0.744238  0.291900  0.466767  1
  Sm  Sm143  1  0.918337  0.624116  0.479082  1
  Sm  Sm144  1  0.094104  0.957112  0.494814  1
  Sm  Sm145  1  0.508224  0.994012  0.500837  1
  Sm  Sm146  1  0.153852  0.330027  0.471778  1
  Sm  Sm147  1  0.328426  0.662250  0.484675  1
  Sm  Sm148  1  0.385666  0.030729  0.467250  1
  Sm  Sm149  1  0.566338  0.366940  0.476411  1
  Sm  Sm150  1  0.741654  0.699167  0.489839  1
  Sm  Sm151  1  0.796594  0.068803  0.473567  1
  Sm  Sm152  1  0.212366  0.401882  0.464709  1
  Sm  Sm153  1  0.387894  0.734146  0.478636  1
  Sm  Sm154  1  0.212347  0.105930  0.478206  1
  Sm  Sm155  1  0.624582  0.439002  0.469658  1
  Sm  Sm156  1  0.801039  0.771060  0.483881  1
  Sm  Sm157  1  0.863229  0.142425  0.465650  1
  Sm  Sm158  1  0.036764  0.476131  0.474661  1
  Sm  Sm159  1  0.211120  0.809178  0.489555  1
  Sm  Sm160  1  0.510851  0.178967  0.453299  1
  Sm  Sm161  1  0.683107  0.511117  0.463176  1
  Sm  Sm162  1  0.623270  0.847091  0.494939  1
  Sm  Sm163  1  0.460861  0.217470  0.496901  1
  Sm  Sm164  1  0.633815  0.549470  0.507919  1
  Sm  Sm165  1  0.570438  0.886425  0.540321  1
  Sm  Sm166  1  0.868367  0.255479  0.501884  1
  Sm  Sm167  1  0.042787  0.587508  0.513560  1
  Sm  Sm168  1  0.984050  0.923307  0.545546  1
  Sm  Sm169  1  0.280293  0.293388  0.506481  1
  Sm  Sm170  1  0.454859  0.625427  0.518783  1
  Sm  Sm171  1  0.632253  0.958476  0.534926  1
  Sm  Sm172  1  0.045657  0.995418  0.540757  1
  Sm  Sm173  1  0.690942  0.331492  0.511528  1
  Sm  Sm174  1  0.865756  0.663532  0.524417  1
  Sm  Sm175  1  0.922227  0.032087  0.507025  1
  Sm  Sm176  1  0.103673  0.368423  0.516381  1
  Sm  Sm177  1  0.278823  0.700482  0.529806  1
  Sm  Sm178  1  0.333645  0.070182  0.513029  1
  Sm  Sm179  1  0.749530  0.403361  0.504616  1
  Sm  Sm180  1  0.924936  0.735494  0.518586  1
  Sm  Sm181  1  0.747623  0.107316  0.517994  1
  Sm  Sm182  1  0.163427  0.440457  0.509299  1
  Sm  Sm183  1  0.338567  0.772404  0.523578  1
  Sm  Sm184  1  0.399302  0.143929  0.505299  1
  Sm  Sm185  1  0.574126  0.477527  0.514622  1
  Sm  Sm186  1  0.747438  0.810439  0.529347  1
  Sm  Sm187  1  0.045935  0.180448  0.493108  1
  Sm  Sm188  1  0.220404  0.512552  0.503088  1
  Sm  Sm189  1  0.159501  0.848324  0.534646  1
  Sm  Sm190  1  0.998300  0.219018  0.536597  1
  Sm  Sm191  1  0.172868  0.550888  0.547646  1
  Sm  Sm192  1  0.108192  0.887516  0.580072  1
  Sm  Sm193  1  0.405135  0.257111  0.541613  1
  Sm  Sm194  1  0.580173  0.588977  0.553332  1
  Sm  Sm195  1  0.521525  0.924808  0.585632  1
  Sm  Sm196  1  0.817484  0.294937  0.546340  1
  Sm  Sm197  1  0.992331  0.626787  0.558676  1
  Sm  Sm198  1  0.167525  0.959870  0.574629  1
  Sm  Sm199  1  0.583609  0.996755  0.580520  1
  Sm  Sm200  1  0.228909  0.332919  0.551323  1
  Sm  Sm201  1  0.403801  0.664772  0.564220  1
  Sm  Sm202  1  0.458464  0.033381  0.546999  1
  Sm  Sm203  1  0.642723  0.369954  0.556287  1
  Sm  Sm204  1  0.817566  0.701850  0.569714  1
  Sm  Sm205  1  0.871299  0.071393  0.552880  1
  Sm  Sm206  1  0.285627  0.404926  0.544641  1
  Sm  Sm207  1  0.460766  0.736926  0.558605  1
  Sm  Sm208  1  0.283854  0.108702  0.557893  1
  Sm  Sm209  1  0.703730  0.441833  0.548855  1
  Sm  Sm210  1  0.877565  0.773786  0.563311  1
  Sm  Sm211  1  0.936633  0.145463  0.544764  1
  Sm  Sm212  1  0.113222  0.479086  0.554390  1
  Sm  Sm213  1  0.284578  0.811860  0.569173  1
  Sm  Sm214  1  0.579377  0.181995  0.533141  1
  Sm  Sm215  1  0.756043  0.514059  0.543093  1
  Sm  Sm216  1  0.696532  0.849636  0.574610  1
  Sm  Sm217  1  0.534896  0.220821  0.575504  1
  Sm  Sm218  1  0.711278  0.552526  0.586602  1
  Sm  Sm219  1  0.646518  0.889002  0.619409  1
  Sm  Sm220  1  0.943324  0.258788  0.580670  1
  Sm  Sm221  1  0.118953  0.590479  0.592454  1
  Sm  Sm222  1  0.062956  0.925337  0.623816  1
  Sm  Sm223  1  0.356365  0.296628  0.585523  1
  Sm  Sm224  1  0.531512  0.628316  0.597879  1
  Sm  Sm225  1  0.703650  0.961432  0.614832  1
  Sm  Sm226  1  0.124658  0.998795  0.620118  1
  Sm  Sm227  1  0.768834  0.334629  0.590534  1
  Sm  Sm228  1  0.943767  0.666316  0.603427  1
  Sm  Sm229  1  0.996827  0.034855  0.586734  1
  Sm  Sm230  1  0.186722  0.371348  0.595126  1
  Sm  Sm231  1  0.361111  0.703066  0.608521  1
  Sm  Sm232  1  0.411691  0.073109  0.591705  1
  Sm  Sm233  1  0.818609  0.406487  0.584913  1
  Sm  Sm234  1  0.993308  0.738368  0.598847  1
  Sm  Sm235  1  0.827352  0.110336  0.596917  1
  Sm  Sm236  1  0.243336  0.443514  0.587873  1
  Sm  Sm237  1  0.416025  0.775362  0.602292  1
  Sm  Sm238  1  0.473526  0.146555  0.583503  1
  Sm  Sm239  1  0.657105  0.480219  0.593129  1
  Sm  Sm240  1  0.823179  0.813303  0.608332  1
  Sm  Sm241  1  0.109635  0.183520  0.573283  1
  Sm  Sm242  1  0.288772  0.515544  0.583391  1
  Sm  Sm243  1  0.235284  0.851160  0.613936  1
  Sm  Sm244  1  0.061788  0.221952  0.615929  1
  Sm  Sm245  1  0.240164  0.553505  0.627028  1
  Sm  Sm246  1  0.188054  0.890869  0.659786  1
  Sm  Sm247  1  0.476601  0.260087  0.620659  1
  Sm  Sm248  1  0.653480  0.591703  0.632350  1
  Sm  Sm249  1  0.610151  0.927025  0.663362  1
  Sm  Sm250  1  0.892551  0.298055  0.625428  1
  Sm  Sm251  1  0.068645  0.629631  0.637738  1
  Sm  Sm252  1  0.218114  0.961485  0.653956  1
  Sm  Sm253  1  0.647869  0.998928  0.660187  1
  Sm  Sm254  1  0.308014  0.336199  0.630554  1
  Sm  Sm255  1  0.483349  0.667754  0.643424  1
  Sm  Sm256  1  0.536200  0.036863  0.626116  1
  Sm  Sm257  1  0.731339  0.372995  0.634700  1
  Sm  Sm258  1  0.905574  0.704542  0.648041  1
  Sm  Sm259  1  0.951867  0.074814  0.631610  1
  Sm  Sm260  1  0.338183  0.407837  0.626527  1
  Sm  Sm261  1  0.511870  0.739485  0.640388  1
  Sm  Sm262  1  0.375631  0.111431  0.636003  1
  Sm  Sm263  1  0.775941  0.444727  0.628427  1
  Sm  Sm264  1  0.945858  0.776368  0.642689  1
  Sm  Sm265  1  1.007830  0.148089  0.623637  1
  Sm  Sm266  1  0.199683  0.481678  0.632576  1
  Sm  Sm267  1  0.358837  0.814632  0.648181  1
  Sm  Sm268  1  0.624067  0.184887  0.614213  1
  Sm  Sm269  1  0.806420  0.516682  0.624804  1
  Sm  Sm270  1  0.773599  0.852543  0.653735  1
  Sm  Sm271  1  0.566999  0.221679  0.658547  1
  Sm  Sm272  1  0.748216  0.553192  0.669527  1
  Sm  Sm273  1  0.713345  0.890363  0.700914  1
  Sm  Sm274  1  0.990027  0.259676  0.662352  1
  Sm  Sm275  1  0.168337  0.591150  0.673966  1
  Sm  Sm276  1  0.139032  0.929891  0.706320  1
  Sm  Sm277  1  0.408822  0.297675  0.667021  1
  Sm  Sm278  1  0.585610  0.629081  0.679285  1
  Sm  Sm279  1  0.695530  0.962409  0.702745  1
  Sm  Sm280  1  0.166796  0.992906  0.702954  1
  Sm  Sm281  1  0.828816  0.335777  0.672116  1
  Sm  Sm282  1  1.004293  0.667153  0.684943  1
  Sm  Sm283  1  0.052950  0.036176  0.668665  1
  Sm  Sm284  1  0.261965  0.373688  0.677470  1
  Sm  Sm285  1  0.435936  0.705027  0.690835  1
  Sm  Sm286  1  0.473797  0.074064  0.673652  1
  Sm  Sm287  1  0.832146  0.409365  0.672379  1
  Sm  Sm288  1  1.003260  0.740601  0.686406  1
  Sm  Sm289  1  0.909692  0.112811  0.677469  1
  Sm  Sm290  1  0.290845  0.444879  0.670955  1
  Sm  Sm291  1  0.455303  0.776170  0.685037  1
  Sm  Sm292  1  0.526754  0.150698  0.665294  1
  Sm  Sm293  1  0.728809  0.482600  0.675439  1
  Sm  Sm294  1  0.875358  0.814157  0.689679  1
  Sm  Sm295  1  0.107086  0.186262  0.659909  1
  Sm  Sm296  1  0.295338  0.517834  0.671057  1
  Sm  Sm297  1  0.292273  0.852284  0.695091  1
