# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46348427
_cell_length_b   78.80161789
_cell_length_c   51.38934257
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   88.66180273
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm189
_cell_volume   14021.7736059
_cell_formula_units_Z   189
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  0.429991  0.226020  0.269753  1
  Sm  Sm2  1  0.264186  0.557632  0.291878  1
  Sm  Sm3  1  0.594889  0.894180  0.248301  1
  Sm  Sm4  1  0.910146  0.265640  0.243189  1
  Sm  Sm5  1  0.744173  0.597210  0.265223  1
  Sm  Sm6  1  0.578323  0.928485  0.287547  1
  Sm  Sm7  1  0.393608  0.299166  0.281679  1
  Sm  Sm8  1  0.227764  0.630737  0.303792  1
  Sm  Sm9  1  0.560162  0.966280  0.258296  1
  Sm  Sm10  1  0.542170  1.001395  0.298326  1
  Sm  Sm11  1  0.873789  0.338114  0.255384  1
  Sm  Sm12  1  0.708042  0.669658  0.277455  1
  Sm  Sm13  1  1.022357  0.040465  0.271353  1
  Sm  Sm14  1  0.353842  0.377739  0.228763  1
  Sm  Sm15  1  0.188227  0.709238  0.250750  1
  Sm  Sm16  1  1.004137  0.079321  0.243683  1
  Sm  Sm17  1  0.837110  0.411375  0.267053  1
  Sm  Sm18  1  0.671664  0.742825  0.289117  1
  Sm  Sm19  1  0.986182  0.114033  0.283890  1
  Sm  Sm20  1  0.316790  0.450569  0.241399  1
  Sm  Sm21  1  0.151870  0.781734  0.262682  1
  Sm  Sm22  1  0.466135  0.153646  0.257298  1
  Sm  Sm23  1  0.300247  0.484828  0.280733  1
  Sm  Sm24  1  0.631948  0.821319  0.235919  1
  Sm  Sm25  1  0.949744  0.187070  0.295984  1
  Sm  Sm26  1  0.281989  0.522712  0.251655  1
  Sm  Sm27  1  0.115189  0.855018  0.274083  1
  Sm  Sm28  1  0.932317  0.221692  0.336307  1
  Sm  Sm29  1  0.766433  0.553251  0.358512  1
  Sm  Sm30  1  0.097924  0.889382  0.314693  1
  Sm  Sm31  1  0.412525  0.260858  0.309740  1
  Sm  Sm32  1  0.246573  0.592468  0.331929  1
  Sm  Sm33  1  0.080586  0.924154  0.354382  1
  Sm  Sm34  1  0.896052  0.294443  0.348050  1
  Sm  Sm35  1  0.730175  0.626101  0.370183  1
  Sm  Sm36  1  0.062028  0.962210  0.325295  1
  Sm  Sm37  1  0.044482  0.997075  0.365015  1
  Sm  Sm38  1  0.376122  0.333806  0.321949  1
  Sm  Sm39  1  0.210321  0.665432  0.344021  1
  Sm  Sm40  1  0.524748  0.036294  0.338378  1
  Sm  Sm41  1  0.856281  0.372981  0.295260  1
  Sm  Sm42  1  0.690554  0.704558  0.317317  1
  Sm  Sm43  1  0.506104  0.074635  0.310248  1
  Sm  Sm44  1  0.339807  0.406439  0.333593  1
  Sm  Sm45  1  0.174054  0.738204  0.355506  1
  Sm  Sm46  1  0.488526  0.109452  0.350420  1
  Sm  Sm47  1  0.819878  0.445680  0.307778  1
  Sm  Sm48  1  0.654149  0.777527  0.329262  1
  Sm  Sm49  1  0.968607  0.148748  0.324000  1
  Sm  Sm50  1  0.802566  0.480377  0.347586  1
  Sm  Sm51  1  0.134331  0.816663  0.302430  1
  Sm  Sm52  1  0.452212  0.182310  0.362336  1
  Sm  Sm53  1  0.783996  0.518447  0.318652  1
  Sm  Sm54  1  0.617830  0.850181  0.340640  1
  Sm  Sm55  1  0.434749  0.216939  0.402861  1
  Sm  Sm56  1  0.268811  0.548690  0.425243  1
  Sm  Sm57  1  0.600352  0.884899  0.381049  1
  Sm  Sm58  1  0.914875  0.256238  0.376603  1
  Sm  Sm59  1  0.748977  0.587908  0.398779  1
  Sm  Sm60  1  0.582946  0.919647  0.420986  1
  Sm  Sm61  1  0.398449  0.289779  0.414696  1
  Sm  Sm62  1  0.232552  0.621525  0.436834  1
  Sm  Sm63  1  0.564275  0.957842  0.391864  1
  Sm  Sm64  1  0.546814  0.992580  0.431784  1
  Sm  Sm65  1  0.878551  0.329076  0.388535  1
  Sm  Sm66  1  0.712700  0.660790  0.410598  1
  Sm  Sm67  1  1.027072  0.031786  0.405201  1
  Sm  Sm68  1  0.358672  0.368337  0.362187  1
  Sm  Sm69  1  0.192850  0.700044  0.384196  1
  Sm  Sm70  1  1.008423  0.070037  0.376623  1
  Sm  Sm71  1  0.842251  0.401845  0.400286  1
  Sm  Sm72  1  0.676398  0.733645  0.422170  1
  Sm  Sm73  1  0.990925  0.104742  0.417011  1
  Sm  Sm74  1  0.322360  0.441094  0.374127  1
  Sm  Sm75  1  0.156523  0.772900  0.395865  1
  Sm  Sm76  1  0.471049  0.144040  0.390788  1
  Sm  Sm77  1  0.304986  0.475777  0.414195  1
  Sm  Sm78  1  0.636668  0.812121  0.369373  1
  Sm  Sm79  1  0.954632  0.177620  0.428938  1
  Sm  Sm80  1  0.286265  0.513996  0.385210  1
  Sm  Sm81  1  0.120219  0.845687  0.407347  1
  Sm  Sm82  1  0.937165  0.212236  0.469430  1
  Sm  Sm83  1  0.771218  0.544109  0.491870  1
  Sm  Sm84  1  0.102756  0.880377  0.447582  1
  Sm  Sm85  1  0.417277  0.251541  0.443268  1
  Sm  Sm86  1  0.251362  0.583347  0.465509  1
  Sm  Sm87  1  0.085298  0.915120  0.487553  1
  Sm  Sm88  1  0.900852  0.285099  0.481333  1
  Sm  Sm89  1  0.734930  0.616940  0.503506  1
  Sm  Sm90  1  0.066601  0.953329  0.458464  1
  Sm  Sm91  1  0.049162  0.988058  0.498457  1
  Sm  Sm92  1  0.380965  0.324395  0.455133  1
  Sm  Sm93  1  0.215069  0.656194  0.477196  1
  Sm  Sm94  1  0.529416  0.027252  0.471948  1
  Sm  Sm95  1  0.861094  0.363670  0.428918  1
  Sm  Sm96  1  0.695201  0.695454  0.450883  1
  Sm  Sm97  1  0.510751  0.065432  0.443211  1
  Sm  Sm98  1  0.344681  0.397227  0.466977  1
  Sm  Sm99  1  0.178748  0.729068  0.488829  1
  Sm  Sm100  1  0.493324  0.100095  0.483579  1
  Sm  Sm101  1  0.824820  0.436476  0.440650  1
  Sm  Sm102  1  0.658883  0.768322  0.462482  1
  Sm  Sm103  1  0.973461  0.139373  0.457444  1
  Sm  Sm104  1  0.807397  0.471164  0.480755  1
  Sm  Sm105  1  0.139035  0.807556  0.436121  1
  Sm  Sm106  1  0.457046  0.172936  0.495570  1
  Sm  Sm107  1  0.788645  0.509410  0.451795  1
  Sm  Sm108  1  0.622593  0.841168  0.474055  1
  Sm  Sm109  1  0.439585  0.207529  0.536006  1
  Sm  Sm110  1  0.273667  0.539515  0.558390  1
  Sm  Sm111  1  0.605117  0.875866  0.514221  1
  Sm  Sm112  1  0.919681  0.246848  0.509898  1
  Sm  Sm113  1  0.753771  0.578769  0.532199  1
  Sm  Sm114  1  0.587614  0.910619  0.554141  1
  Sm  Sm115  1  0.403254  0.280412  0.547992  1
  Sm  Sm116  1  0.237324  0.612332  0.570231  1
  Sm  Sm117  1  0.568936  0.948808  0.525038  1
  Sm  Sm118  1  0.551491  0.983567  0.565055  1
  Sm  Sm119  1  0.883373  0.319719  0.521717  1
  Sm  Sm120  1  0.717445  0.651588  0.543800  1
  Sm  Sm121  1  1.031745  0.022703  0.538692  1
  Sm  Sm122  1  0.363502  0.359022  0.495587  1
  Sm  Sm123  1  0.197556  0.690865  0.517537  1
  Sm  Sm124  1  1.013123  0.060817  0.509848  1
  Sm  Sm125  1  0.847089  0.392624  0.533698  1
  Sm  Sm126  1  0.681096  0.724486  0.555508  1
  Sm  Sm127  1  0.995766  0.095441  0.550099  1
  Sm  Sm128  1  0.327239  0.431869  0.507272  1
  Sm  Sm129  1  0.161236  0.763751  0.529086  1
  Sm  Sm130  1  0.475885  0.134717  0.524088  1
  Sm  Sm131  1  0.309779  0.466566  0.547330  1
  Sm  Sm132  1  0.641386  0.803011  0.502808  1
  Sm  Sm133  1  0.959475  0.168233  0.562267  1
  Sm  Sm134  1  0.291053  0.504807  0.518356  1
  Sm  Sm135  1  0.124941  0.836667  0.540798  1
  Sm  Sm136  1  0.942023  0.202768  0.602566  1
  Sm  Sm137  1  0.776138  0.534953  0.624729  1
  Sm  Sm138  1  0.107444  0.871388  0.580960  1
  Sm  Sm139  1  0.422080  0.242167  0.576529  1
  Sm  Sm140  1  0.256195  0.574211  0.598883  1
  Sm  Sm141  1  0.089808  0.906278  0.620694  1
  Sm  Sm142  1  0.905603  0.275791  0.614825  1
  Sm  Sm143  1  0.739687  0.607741  0.637136  1
  Sm  Sm144  1  0.071249  0.944330  0.591629  1
  Sm  Sm145  1  0.053811  0.979165  0.631350  1
  Sm  Sm146  1  0.385793  0.314995  0.588271  1
  Sm  Sm147  1  0.219836  0.646928  0.610385  1
  Sm  Sm148  1  0.534037  0.018170  0.605497  1
  Sm  Sm149  1  0.865909  0.354379  0.562226  1
  Sm  Sm150  1  0.699906  0.686288  0.584189  1
  Sm  Sm151  1  0.515532  0.056163  0.576551  1
  Sm  Sm152  1  0.349514  0.388022  0.600521  1
  Sm  Sm153  1  0.183392  0.719971  0.622359  1
  Sm  Sm154  1  0.498257  0.090778  0.616466  1
  Sm  Sm155  1  0.829629  0.427282  0.573990  1
  Sm  Sm156  1  0.663601  0.759132  0.595658  1
  Sm  Sm157  1  0.978334  0.130071  0.590755  1
  Sm  Sm158  1  0.812050  0.462107  0.613867  1
  Sm  Sm159  1  0.143737  0.798473  0.569468  1
  Sm  Sm160  1  0.461881  0.163543  0.629154  1
  Sm  Sm161  1  0.793470  0.500218  0.584961  1
  Sm  Sm162  1  0.627305  0.832177  0.607642  1
  Sm  Sm163  1  0.444380  0.198401  0.669098  1
  Sm  Sm164  1  0.279210  0.530100  0.691081  1
  Sm  Sm165  1  0.609630  0.867106  0.647597  1
  Sm  Sm166  1  0.924532  0.237417  0.642884  1
  Sm  Sm167  1  0.758872  0.569314  0.665410  1
  Sm  Sm168  1  0.591763  0.902137  0.687653  1
  Sm  Sm169  1  0.407983  0.271007  0.681326  1
  Sm  Sm170  1  0.242101  0.603033  0.703599  1
  Sm  Sm171  1  0.573435  0.940024  0.658409  1
  Sm  Sm172  1  0.556617  0.974274  0.697349  1
  Sm  Sm173  1  0.888125  0.310662  0.654797  1
  Sm  Sm174  1  0.722142  0.642668  0.676935  1
  Sm  Sm175  1  0.035674  0.014221  0.672939  1
  Sm  Sm176  1  0.368351  0.349673  0.628604  1
  Sm  Sm177  1  0.202307  0.681642  0.650564  1
  Sm  Sm178  1  1.017884  0.051608  0.643483  1
  Sm  Sm179  1  0.851922  0.383259  0.667169  1
  Sm  Sm180  1  0.685718  0.715293  0.688879  1
  Sm  Sm181  1  1.001345  0.085849  0.682830  1
  Sm  Sm182  1  0.331889  0.422880  0.640606  1
  Sm  Sm183  1  0.165876  0.754905  0.662200  1
  Sm  Sm184  1  0.481044  0.125083  0.657265  1
  Sm  Sm185  1  0.314054  0.457822  0.680816  1
  Sm  Sm186  1  0.646121  0.793876  0.635868  1
  Sm  Sm187  1  0.964342  0.158725  0.695606  1
  Sm  Sm188  1  0.295787  0.495775  0.651811  1
  Sm  Sm189  1  0.129649  0.827529  0.674306  1
