# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   36.16475257
_cell_length_b   15.66154411
_cell_length_c   47.54306791
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.32788882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm324
_cell_volume   26620.337784
_cell_formula_units_Z   324
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  0.278677  0.630597  0.324303  1
  Sm  Sm2  1  0.612010  0.297263  0.324303  1
  Sm  Sm3  1  0.620588  0.681251  0.309386  1
  Sm  Sm4  1  0.958840  0.725770  0.295829  1
  Sm  Sm5  1  0.292173  0.392437  0.295829  1
  Sm  Sm6  1  0.625506  0.059103  0.295829  1
  Sm  Sm7  1  0.945344  0.963930  0.324303  1
  Sm  Sm8  1  0.953921  0.347917  0.309386  1
  Sm  Sm9  1  0.287254  0.014584  0.309386  1
  Sm  Sm10  1  0.453266  0.736039  0.294800  1
  Sm  Sm11  1  0.786600  0.402706  0.294800  1
  Sm  Sm12  1  0.780474  0.629475  0.324036  1
  Sm  Sm13  1  0.114797  0.682392  0.309502  1
  Sm  Sm14  1  0.448130  0.349059  0.309502  1
  Sm  Sm15  1  0.781463  0.015725  0.309502  1
  Sm  Sm16  1  0.119933  0.069372  0.294800  1
  Sm  Sm17  1  0.113807  0.296142  0.324036  1
  Sm  Sm18  1  0.447140  0.962808  0.324036  1
  Sm  Sm19  1  0.535339  0.549632  0.300367  1
  Sm  Sm20  1  0.868672  0.216299  0.300367  1
  Sm  Sm21  1  0.874538  0.597499  0.285577  1
  Sm  Sm22  1  0.197167  0.497148  0.314500  1
  Sm  Sm23  1  0.530500  0.163815  0.314500  1
  Sm  Sm24  1  0.863834  0.830482  0.314500  1
  Sm  Sm25  1  0.202006  0.882966  0.300367  1
  Sm  Sm26  1  0.207871  0.264165  0.285577  1
  Sm  Sm27  1  0.541205  0.930832  0.285577  1
  Sm  Sm28  1  0.361749  0.766436  0.329816  1
  Sm  Sm29  1  0.695082  0.433103  0.329816  1
  Sm  Sm30  1  0.701982  0.820431  0.314065  1
  Sm  Sm31  1  0.036761  0.868393  0.303645  1
  Sm  Sm32  1  0.370094  0.535060  0.303645  1
  Sm  Sm33  1  0.703427  0.201726  0.303645  1
  Sm  Sm34  1  0.028415  0.099770  0.329816  1
  Sm  Sm35  1  0.035316  0.487097  0.314065  1
  Sm  Sm36  1  0.368649  0.153764  0.314065  1
  Sm  Sm37  1  0.273365  0.463678  0.372939  1
  Sm  Sm38  1  0.606699  0.130345  0.372939  1
  Sm  Sm39  1  0.607428  0.516487  0.359074  1
  Sm  Sm40  1  0.946108  0.565116  0.344212  1
  Sm  Sm41  1  0.279441  0.231783  0.344212  1
  Sm  Sm42  1  0.612774  0.898449  0.344212  1
  Sm  Sm43  1  0.940032  0.797011  0.372939  1
  Sm  Sm44  1  0.940761  0.183154  0.359074  1
  Sm  Sm45  1  0.274095  0.849820  0.359074  1
  Sm  Sm46  1  0.445933  0.570987  0.344143  1
  Sm  Sm47  1  0.779266  0.237654  0.344143  1
  Sm  Sm48  1  0.772084  0.462198  0.374564  1
  Sm  Sm49  1  0.109674  0.515501  0.359657  1
  Sm  Sm50  1  0.443007  0.182167  0.359657  1
  Sm  Sm51  1  0.776341  0.848834  0.359657  1
  Sm  Sm52  1  0.112600  0.904321  0.344143  1
  Sm  Sm53  1  0.105417  0.128864  0.374564  1
  Sm  Sm54  1  0.438750  0.795531  0.374564  1
  Sm  Sm55  1  0.526187  0.388068  0.349758  1
  Sm  Sm56  1  0.859520  0.054734  0.349758  1
  Sm  Sm57  1  0.863711  0.440680  0.334625  1
  Sm  Sm58  1  0.192713  0.335033  0.363983  1
  Sm  Sm59  1  0.526046  0.001700  0.363983  1
  Sm  Sm60  1  0.859380  0.668366  0.363983  1
  Sm  Sm61  1  0.192853  0.721401  0.349758  1
  Sm  Sm62  1  0.197044  0.107347  0.334625  1
  Sm  Sm63  1  0.530378  0.774013  0.334625  1
  Sm  Sm64  1  0.354254  0.593572  0.382103  1
  Sm  Sm65  1  0.687587  0.260239  0.382103  1
  Sm  Sm66  1  0.690690  0.647815  0.366613  1
  Sm  Sm67  1  0.027113  0.698006  0.352499  1
  Sm  Sm68  1  0.360446  0.364672  0.352499  1
  Sm  Sm69  1  0.693779  0.031339  0.352499  1
  Sm  Sm70  1  0.020920  0.926905  0.382103  1
  Sm  Sm71  1  0.024023  0.314482  0.366613  1
  Sm  Sm72  1  0.357357  0.981149  0.366613  1
  Sm  Sm73  1  0.266258  0.298691  0.420799  1
  Sm  Sm74  1  0.599592  0.965358  0.420799  1
  Sm  Sm75  1  0.600696  0.350669  0.405918  1
  Sm  Sm76  1  0.936468  0.404725  0.391432  1
  Sm  Sm77  1  0.269801  0.071391  0.391432  1
  Sm  Sm78  1  0.603134  0.738058  0.391432  1
  Sm  Sm79  1  0.932925  0.632025  0.420799  1
  Sm  Sm80  1  0.934030  0.017336  0.405918  1
  Sm  Sm81  1  0.267363  0.684003  0.405918  1
  Sm  Sm82  1  0.436202  0.408447  0.390127  1
  Sm  Sm83  1  0.769536  0.075113  0.390127  1
  Sm  Sm84  1  0.765725  0.296202  0.422421  1
  Sm  Sm85  1  0.102103  0.350080  0.405417  1
  Sm  Sm86  1  0.435436  0.016746  0.405417  1
  Sm  Sm87  1  0.768769  0.683413  0.405417  1
  Sm  Sm88  1  0.102869  0.741780  0.390127  1
  Sm  Sm89  1  0.099059  0.962869  0.422421  1
  Sm  Sm90  1  0.432392  0.629536  0.422421  1
  Sm  Sm91  1  0.520086  0.226045  0.394747  1
  Sm  Sm92  1  0.853419  0.892712  0.394747  1
  Sm  Sm93  1  0.854535  0.282357  0.380108  1
  Sm  Sm94  1  0.184080  0.173752  0.410986  1
  Sm  Sm95  1  0.517414  0.840418  0.410986  1
  Sm  Sm96  1  0.850747  0.507085  0.410986  1
  Sm  Sm97  1  0.186752  0.559379  0.394747  1
  Sm  Sm98  1  0.187868  0.949023  0.380108  1
  Sm  Sm99  1  0.521201  0.615690  0.380108  1
  Sm  Sm100  1  0.346862  0.424326  0.430631  1
  Sm  Sm101  1  0.680196  0.090993  0.430631  1
  Sm  Sm102  1  0.683117  0.477668  0.414328  1
  Sm  Sm103  1  0.019404  0.531666  0.399854  1
  Sm  Sm104  1  0.352737  0.198333  0.399854  1
  Sm  Sm105  1  0.686071  0.864999  0.399854  1
  Sm  Sm106  1  0.013529  0.757659  0.430631  1
  Sm  Sm107  1  0.016450  0.144335  0.414328  1
  Sm  Sm108  1  0.349784  0.811002  0.414328  1
  Sm  Sm109  1  0.257851  0.134211  0.468285  1
  Sm  Sm110  1  0.591184  0.800877  0.468285  1
  Sm  Sm111  1  0.593375  0.187734  0.452449  1
  Sm  Sm112  1  0.929666  0.241528  0.437044  1
  Sm  Sm113  1  0.262999  0.908194  0.437044  1
  Sm  Sm114  1  0.596333  0.574861  0.437044  1
  Sm  Sm115  1  0.924517  0.467544  0.468285  1
  Sm  Sm116  1  0.926709  0.854400  0.452449  1
  Sm  Sm117  1  0.260042  0.521067  0.452449  1
  Sm  Sm118  1  0.429302  0.243651  0.436614  1
  Sm  Sm119  1  0.762635  0.910318  0.436614  1
  Sm  Sm120  1  0.757565  0.132504  0.468724  1
  Sm  Sm121  1  0.093537  0.187934  0.452268  1
  Sm  Sm122  1  0.426870  0.854601  0.452268  1
  Sm  Sm123  1  0.760203  0.521268  0.452268  1
  Sm  Sm124  1  0.095969  0.576984  0.436614  1
  Sm  Sm125  1  0.090898  0.799171  0.468724  1
  Sm  Sm126  1  0.424231  0.465837  0.468724  1
  Sm  Sm127  1  0.511838  0.064508  0.441722  1
  Sm  Sm128  1  0.845171  0.731175  0.441722  1
  Sm  Sm129  1  0.847551  0.118850  0.426224  1
  Sm  Sm130  1  0.176326  0.010290  0.458009  1
  Sm  Sm131  1  0.509659  0.676957  0.458009  1
  Sm  Sm132  1  0.842992  0.343623  0.458009  1
  Sm  Sm133  1  0.178504  0.397842  0.441722  1
  Sm  Sm134  1  0.180885  0.785516  0.426224  1
  Sm  Sm135  1  0.514218  0.452183  0.426224  1
  Sm  Sm136  1  0.339255  0.258756  0.478238  1
  Sm  Sm137  1  0.672589  0.925422  0.478238  1
  Sm  Sm138  1  0.675055  0.313146  0.462192  1
  Sm  Sm139  1  0.011416  0.367083  0.446759  1
  Sm  Sm140  1  0.344749  0.033750  0.446759  1
  Sm  Sm141  1  0.678082  0.700417  0.446759  1
  Sm  Sm142  1  0.005922  0.592089  0.478238  1
  Sm  Sm143  1  0.008388  0.979813  0.462192  1
  Sm  Sm144  1  0.341722  0.646479  0.462192  1
  Sm  Sm145  1  0.249920  0.970282  0.515103  1
  Sm  Sm146  1  0.583254  0.636949  0.515103  1
  Sm  Sm147  1  0.585561  0.024785  0.499406  1
  Sm  Sm148  1  0.921202  0.079287  0.483710  1
  Sm  Sm149  1  0.254535  0.745954  0.483710  1
  Sm  Sm150  1  0.587869  0.412620  0.483710  1
  Sm  Sm151  1  0.916587  0.303616  0.515103  1
  Sm  Sm152  1  0.918895  0.691451  0.499406  1
  Sm  Sm153  1  0.252228  0.358118  0.499406  1
  Sm  Sm154  1  0.421451  0.079848  0.483321  1
  Sm  Sm155  1  0.754784  0.746515  0.483321  1
  Sm  Sm156  1  0.749672  0.969721  0.515492  1
  Sm  Sm157  1  0.085561  0.024785  0.499406  1
  Sm  Sm158  1  0.418895  0.691451  0.499406  1
  Sm  Sm159  1  0.752228  0.358118  0.499406  1
  Sm  Sm160  1  0.088117  0.413182  0.483321  1
  Sm  Sm161  1  0.083005  0.636388  0.515492  1
  Sm  Sm162  1  0.416338  0.303055  0.515492  1
  Sm  Sm163  1  0.503883  0.900839  0.489181  1
  Sm  Sm164  1  0.837216  0.567506  0.489181  1
  Sm  Sm165  1  0.839947  0.954817  0.473331  1
  Sm  Sm166  1  0.167741  0.846521  0.505010  1
  Sm  Sm167  1  0.501075  0.513188  0.505010  1
  Sm  Sm168  1  0.834408  0.179855  0.505010  1
  Sm  Sm169  1  0.170550  0.234172  0.489181  1
  Sm  Sm170  1  0.173280  0.621484  0.473331  1
  Sm  Sm171  1  0.506613  0.288150  0.473331  1
  Sm  Sm172  1  0.331176  0.094753  0.525482  1
  Sm  Sm173  1  0.664509  0.761419  0.525482  1
  Sm  Sm174  1  0.667239  0.148731  0.509631  1
  Sm  Sm175  1  0.003381  0.203048  0.493803  1
  Sm  Sm176  1  0.336714  0.869715  0.493803  1
  Sm  Sm177  1  0.670048  0.536381  0.493803  1
  Sm  Sm178  1  0.997842  0.428086  0.525482  1
  Sm  Sm179  1  1.000573  0.815397  0.509631  1
  Sm  Sm180  1  0.333906  0.482064  0.509631  1
  Sm  Sm181  1  0.241456  0.808042  0.561769  1
  Sm  Sm182  1  0.574790  0.474708  0.561769  1
  Sm  Sm183  1  0.577747  0.861836  0.546364  1
  Sm  Sm184  1  0.913272  0.915359  0.530528  1
  Sm  Sm185  1  0.246605  0.582025  0.530528  1
  Sm  Sm186  1  0.579938  0.248692  0.530528  1
  Sm  Sm187  1  0.908123  0.141375  0.561769  1
  Sm  Sm188  1  0.911080  0.528503  0.546364  1
  Sm  Sm189  1  0.244414  0.195169  0.546364  1
  Sm  Sm190  1  0.413558  0.917065  0.530089  1
  Sm  Sm191  1  0.746891  0.583732  0.530089  1
  Sm  Sm192  1  0.741820  0.805918  0.562199  1
  Sm  Sm193  1  0.077586  0.861635  0.546545  1
  Sm  Sm194  1  0.410919  0.528302  0.546545  1
  Sm  Sm195  1  0.744252  0.194969  0.546545  1
  Sm  Sm196  1  0.080224  0.250399  0.530089  1
  Sm  Sm197  1  0.075154  0.472585  0.562199  1
  Sm  Sm198  1  0.408487  0.139252  0.562199  1
  Sm  Sm199  1  0.496067  0.736424  0.536621  1
  Sm  Sm200  1  0.829401  0.403090  0.536621  1
  Sm  Sm201  1  0.831867  0.790814  0.520575  1
  Sm  Sm202  1  0.159707  0.682486  0.552054  1
  Sm  Sm203  1  0.493040  0.349153  0.552054  1
  Sm  Sm204  1  0.826373  0.015819  0.552054  1
  Sm  Sm205  1  0.162734  0.069757  0.536621  1
  Sm  Sm206  1  0.165200  0.457481  0.520575  1
  Sm  Sm207  1  0.498534  0.124147  0.520575  1
  Sm  Sm208  1  0.323571  0.930720  0.572589  1
  Sm  Sm209  1  0.656904  0.597386  0.572589  1
  Sm  Sm210  1  0.659285  0.985061  0.557091  1
  Sm  Sm211  1  0.994797  0.039280  0.540804  1
  Sm  Sm212  1  0.328130  0.705946  0.540804  1
  Sm  Sm213  1  0.661463  0.372613  0.540804  1
  Sm  Sm214  1  0.990238  0.264053  0.572589  1
  Sm  Sm215  1  0.992618  0.651728  0.557091  1
  Sm  Sm216  1  0.325951  0.318394  0.557091  1
  Sm  Sm217  1  0.234655  0.644845  0.607381  1
  Sm  Sm218  1  0.567988  0.311511  0.607381  1
  Sm  Sm219  1  0.570426  0.698900  0.592895  1
  Sm  Sm220  1  0.904864  0.750878  0.578014  1
  Sm  Sm221  1  0.238198  0.417545  0.578014  1
  Sm  Sm222  1  0.571531  0.084212  0.578014  1
  Sm  Sm223  1  0.901321  0.978178  0.607381  1
  Sm  Sm224  1  0.903759  0.365567  0.592895  1
  Sm  Sm225  1  0.237093  0.032233  0.592895  1
  Sm  Sm226  1  0.405397  0.753367  0.576392  1
  Sm  Sm227  1  0.738730  0.420034  0.576392  1
  Sm  Sm228  1  0.734920  0.641123  0.608686  1
  Sm  Sm229  1  0.069020  0.699490  0.593395  1
  Sm  Sm230  1  0.402353  0.366157  0.593395  1
  Sm  Sm231  1  0.735686  0.032823  0.593395  1
  Sm  Sm232  1  0.072064  0.086701  0.576392  1
  Sm  Sm233  1  0.068253  0.307789  0.608686  1
  Sm  Sm234  1  0.401587  0.974456  0.608686  1
  Sm  Sm235  1  0.488005  0.571901  0.584485  1
  Sm  Sm236  1  0.821339  0.238568  0.584485  1
  Sm  Sm237  1  0.824260  0.625243  0.568182  1
  Sm  Sm238  1  0.151718  0.517903  0.598959  1
  Sm  Sm239  1  0.485052  0.184570  0.598959  1
  Sm  Sm240  1  0.818385  0.851237  0.598959  1
  Sm  Sm241  1  0.154672  0.905234  0.584485  1
  Sm  Sm242  1  0.157593  0.291910  0.568182  1
  Sm  Sm243  1  0.490927  0.958577  0.568182  1
  Sm  Sm244  1  0.316588  0.767213  0.618705  1
  Sm  Sm245  1  0.649921  0.433879  0.618705  1
  Sm  Sm246  1  0.651037  0.823524  0.604066  1
  Sm  Sm247  1  0.987042  0.875818  0.587826  1
  Sm  Sm248  1  0.320375  0.542484  0.587826  1
  Sm  Sm249  1  0.653709  0.209151  0.587826  1
  Sm  Sm250  1  0.983254  0.100546  0.618705  1
  Sm  Sm251  1  0.984370  0.490191  0.604066  1
  Sm  Sm252  1  0.317704  0.156858  0.604066  1
  Sm  Sm253  1  0.225015  0.484454  0.654601  1
  Sm  Sm254  1  0.558348  0.151120  0.654601  1
  Sm  Sm255  1  0.563694  0.533082  0.639739  1
  Sm  Sm256  1  0.897757  0.585892  0.625874  1
  Sm  Sm257  1  0.231090  0.252558  0.625874  1
  Sm  Sm258  1  0.564424  0.919225  0.625874  1
  Sm  Sm259  1  0.891681  0.817787  0.654601  1
  Sm  Sm260  1  0.897028  0.199749  0.639739  1
  Sm  Sm261  1  0.230361  0.866416  0.639739  1
  Sm  Sm262  1  0.399039  0.587372  0.624249  1
  Sm  Sm263  1  0.732372  0.254038  0.624249  1
  Sm  Sm264  1  0.725189  0.478582  0.654670  1
  Sm  Sm265  1  0.061448  0.534069  0.639156  1
  Sm  Sm266  1  0.394782  0.200736  0.639156  1
  Sm  Sm267  1  0.728115  0.867402  0.639156  1
  Sm  Sm268  1  0.065706  0.920705  0.624249  1
  Sm  Sm269  1  0.058523  0.145249  0.654670  1
  Sm  Sm270  1  0.391856  0.811916  0.654670  1
  Sm  Sm271  1  0.480432  0.401754  0.632200  1
  Sm  Sm272  1  0.813766  0.068421  0.632200  1
  Sm  Sm273  1  0.816869  0.455997  0.616710  1
  Sm  Sm274  1  0.144010  0.351564  0.646314  1
  Sm  Sm275  1  0.477343  0.018231  0.646314  1
  Sm  Sm276  1  0.810676  0.684897  0.646314  1
  Sm  Sm277  1  0.147099  0.735088  0.632200  1
  Sm  Sm278  1  0.150202  0.122664  0.616710  1
  Sm  Sm279  1  0.483535  0.789331  0.616710  1
  Sm  Sm280  1  0.307411  0.608889  0.664188  1
  Sm  Sm281  1  0.640745  0.275556  0.664188  1
  Sm  Sm282  1  0.644936  0.661502  0.649055  1
  Sm  Sm283  1  0.978409  0.714537  0.634830  1
  Sm  Sm284  1  0.311743  0.381203  0.634830  1
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