# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   26.22141250
_cell_length_b   9.27208434
_cell_length_c   50.31636960
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm162
_cell_volume   12233.2754426
_cell_formula_units_Z   162
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  0.357198  0.147340  0.259414  1
  Sm  Sm2  1  0.359222  0.775294  0.286992  1
  Sm  Sm3  1  0.354867  0.417604  0.312796  1
  Sm  Sm4  1  0.245985  0.426748  0.267012  1
  Sm  Sm5  1  0.245230  0.050677  0.299431  1
  Sm  Sm6  1  0.256097  0.829743  0.243043  1
  Sm  Sm7  1  0.135213  0.089659  0.253848  1
  Sm  Sm8  1  0.144811  0.745848  0.282822  1
  Sm  Sm9  1  0.130231  0.387538  0.304075  1
  Sm  Sm10  1  0.024325  0.968572  0.298127  1
  Sm  Sm11  1  0.033725  0.685523  0.247232  1
  Sm  Sm12  1  0.010756  0.309185  0.267470  1
  Sm  Sm13  1  0.908331  0.211102  0.310850  1
  Sm  Sm14  1  0.919007  0.943106  0.254289  1
  Sm  Sm15  1  0.911190  0.575513  0.283919  1
  Sm  Sm16  1  0.808994  0.298747  0.262250  1
  Sm  Sm17  1  0.806023  0.953910  0.291939  1
  Sm  Sm18  1  0.808372  0.678338  0.239010  1
  Sm  Sm19  1  0.691761  0.194574  0.305352  1
  Sm  Sm20  1  0.697275  0.914534  0.253942  1
  Sm  Sm21  1  0.685818  0.538640  0.276167  1
  Sm  Sm22  1  0.582685  0.166746  0.263616  1
  Sm  Sm23  1  0.578781  0.794787  0.290939  1
  Sm  Sm24  1  0.574356  0.437474  0.318221  1
  Sm  Sm25  1  0.468420  0.177054  0.299220  1
  Sm  Sm26  1  0.474338  0.908078  0.246839  1
  Sm  Sm27  1  0.471429  0.526346  0.269990  1
  Sm  Sm28  1  0.353594  0.070710  0.339144  1
  Sm  Sm29  1  0.350281  0.729487  0.363722  1
  Sm  Sm30  1  0.345552  0.385565  0.388284  1
  Sm  Sm31  1  0.237385  0.319549  0.351000  1
  Sm  Sm32  1  0.235694  0.968581  0.377161  1
  Sm  Sm33  1  0.244201  0.673329  0.325326  1
  Sm  Sm34  1  0.131766  0.045369  0.333525  1
  Sm  Sm35  1  0.127405  0.700341  0.357333  1
  Sm  Sm36  1  0.124032  0.358796  0.382484  1
  Sm  Sm37  1  0.013223  0.935437  0.372367  1
  Sm  Sm38  1  0.020353  0.618684  0.321673  1
  Sm  Sm39  1  0.016047  0.280099  0.347089  1
  Sm  Sm40  1  0.899789  0.173378  0.386912  1
  Sm  Sm41  1  0.906486  0.861695  0.336157  1
  Sm  Sm42  1  0.902680  0.519471  0.361047  1
  Sm  Sm43  1  0.797636  0.273112  0.340844  1
  Sm  Sm44  1  0.793696  0.926685  0.365340  1
  Sm  Sm45  1  0.795965  0.607658  0.314313  1
  Sm  Sm46  1  0.679619  0.160622  0.380166  1
  Sm  Sm47  1  0.685613  0.846335  0.329963  1
  Sm  Sm48  1  0.682526  0.505223  0.354917  1
  Sm  Sm49  1  0.572935  0.088476  0.343517  1
  Sm  Sm50  1  0.569387  0.743801  0.369174  1
  Sm  Sm51  1  0.565976  0.397714  0.394610  1
  Sm  Sm52  1  0.460820  0.152647  0.373530  1
  Sm  Sm53  1  0.467044  0.833798  0.323434  1
  Sm  Sm54  1  0.462545  0.496771  0.348108  1
  Sm  Sm55  1  0.343759  0.040824  0.414061  1
  Sm  Sm56  1  0.339877  0.694538  0.439203  1
  Sm  Sm57  1  0.337161  0.349341  0.464485  1
  Sm  Sm58  1  0.228903  0.273765  0.428008  1
  Sm  Sm59  1  0.226061  0.927299  0.453634  1
  Sm  Sm60  1  0.231562  0.619907  0.402551  1
  Sm  Sm61  1  0.121887  1.013289  0.408325  1
  Sm  Sm62  1  0.118845  0.668689  0.433973  1
  Sm  Sm63  1  0.115995  0.323313  0.459035  1
  Sm  Sm64  1  0.004651  0.900780  0.448521  1
  Sm  Sm65  1  0.010108  0.590674  0.398054  1
  Sm  Sm66  1  0.007681  0.245310  0.423119  1
  Sm  Sm67  1  0.890876  0.135621  0.463044  1
  Sm  Sm68  1  0.896575  0.826818  0.412132  1
  Sm  Sm69  1  0.893712  0.481039  0.437620  1
  Sm  Sm70  1  0.787536  0.234763  0.416551  1
  Sm  Sm71  1  0.784795  0.889959  0.442106  1
  Sm  Sm72  1  0.790574  0.581479  0.391098  1
  Sm  Sm73  1  0.671010  0.125193  0.456530  1
  Sm  Sm74  1  0.677064  0.816064  0.405839  1
  Sm  Sm75  1  0.673825  0.470087  0.430984  1
  Sm  Sm76  1  0.563210  0.051975  0.420053  1
  Sm  Sm77  1  0.560125  0.705773  0.445474  1
  Sm  Sm78  1  0.557256  0.360523  0.471085  1
  Sm  Sm79  1  0.451332  0.114990  0.450073  1
  Sm  Sm80  1  0.457295  0.806622  0.399288  1
  Sm  Sm81  1  0.453797  0.460071  0.424451  1
  Sm  Sm82  1  0.334294  1.003886  0.489919  1
  Sm  Sm83  1  0.331263  0.659355  0.515321  1
  Sm  Sm84  1  0.328836  0.313991  0.540386  1
  Sm  Sm85  1  0.220100  0.235976  0.504467  1
  Sm  Sm86  1  0.217058  0.891376  0.530115  1
  Sm  Sm87  1  0.222949  0.581352  0.479405  1
  Sm  Sm88  1  0.112883  0.977366  0.484806  1
  Sm  Sm89  1  0.110041  0.630900  0.510432  1
  Sm  Sm90  1  0.107382  0.284758  0.535889  1
  Sm  Sm91  1  0.995186  0.863841  0.524379  1
  Sm  Sm92  1  1.001783  0.555324  0.473955  1
  Sm  Sm93  1  0.999068  0.210127  0.499237  1
  Sm  Sm94  1  0.881649  0.098043  0.539152  1
  Sm  Sm95  1  0.887613  0.789675  0.488367  1
  Sm  Sm96  1  0.885148  0.444594  0.513989  1
  Sm  Sm97  1  0.778820  0.198892  0.492966  1
  Sm  Sm98  1  0.775735  0.852690  0.518387  1
  Sm  Sm99  1  0.781689  0.544142  0.467355  1
  Sm  Sm100  1  0.661881  0.088601  0.532602  1
  Sm  Sm101  1  0.667934  0.779473  0.481911  1
  Sm  Sm102  1  0.665119  0.434578  0.507456  1
  Sm  Sm103  1  0.554149  1.014706  0.496334  1
  Sm  Sm104  1  0.551409  0.669902  0.521889  1
  Sm  Sm105  1  0.548370  0.323186  0.547342  1
  Sm  Sm106  1  0.442369  0.077847  0.526308  1
  Sm  Sm107  1  0.448068  0.769044  0.475396  1
  Sm  Sm108  1  0.445232  0.423626  0.500820  1
  Sm  Sm109  1  0.325722  0.969228  0.566073  1
  Sm  Sm110  1  0.322898  0.624566  0.591351  1
  Sm  Sm111  1  0.318592  0.285982  0.616767  1
  Sm  Sm112  1  0.211540  0.204324  0.581107  1
  Sm  Sm113  1  0.207178  0.859296  0.604915  1
  Sm  Sm114  1  0.214912  0.545869  0.555956  1
  Sm  Sm115  1  0.103250  0.936084  0.561279  1
  Sm  Sm116  1  0.101559  0.585116  0.587440  1
  Sm  Sm117  1  0.094744  0.231336  0.613114  1
  Sm  Sm118  1  0.985350  0.833955  0.599296  1
  Sm  Sm119  1  0.993393  0.519100  0.550156  1
  Sm  Sm120  1  0.988663  0.175178  0.574718  1
  Sm  Sm121  1  0.871900  0.070867  0.615006  1
  Sm  Sm122  1  0.878125  0.752019  0.564910  1
  Sm  Sm123  1  0.876399  0.407895  0.590332  1
  Sm  Sm124  1  0.769557  0.160864  0.569266  1
  Sm  Sm125  1  0.766010  0.816189  0.594923  1
  Sm  Sm126  1  0.772968  0.506951  0.543830  1
  Sm  Sm127  1  0.653332  0.058330  0.608477  1
  Sm  Sm128  1  0.659325  0.744043  0.558275  1
  Sm  Sm129  1  0.656418  0.399442  0.583523  1
  Sm  Sm130  1  0.545248  0.977980  0.573100  1
  Sm  Sm131  1  0.541308  0.631553  0.597596  1
  Sm  Sm132  1  0.542979  0.297007  0.624127  1
  Sm  Sm133  1  0.432459  0.042970  0.602284  1
  Sm  Sm134  1  0.439155  0.731288  0.551528  1
  Sm  Sm135  1  0.436265  0.385194  0.577393  1
  Sm  Sm136  1  0.314620  0.936093  0.640313  1
  Sm  Sm137  1  0.328189  0.595480  0.670970  1
  Sm  Sm138  1  0.305220  0.219142  0.691209  1
  Sm  Sm139  1  0.194133  0.158817  0.655618  1
  Sm  Sm140  1  0.203731  0.815006  0.684592  1
  Sm  Sm141  1  0.208714  0.517127  0.634365  1
  Sm  Sm142  1  0.093714  0.853989  0.639009  1
  Sm  Sm143  1  0.092959  0.477917  0.671428  1
  Sm  Sm144  1  0.082848  0.074922  0.695397  1
  Sm  Sm145  1  0.981746  0.757325  0.679026  1
  Sm  Sm146  1  0.984077  0.487061  0.625644  1
  Sm  Sm147  1  0.979722  0.129371  0.651448  1
  Sm  Sm148  1  0.864607  0.996587  0.691601  1
  Sm  Sm149  1  0.870524  0.727612  0.639220  1
  Sm  Sm150  1  0.867515  0.378319  0.668450  1
  Sm  Sm151  1  0.760163  0.109878  0.647501  1
  Sm  Sm152  1  0.756259  0.737919  0.674824  1
  Sm  Sm153  1  0.764589  0.467191  0.620219  1
  Sm  Sm154  1  0.641669  0.990131  0.684498  1
  Sm  Sm155  1  0.647184  0.710091  0.633088  1
  Sm  Sm156  1  0.653127  0.366025  0.662273  1
  Sm  Sm157  1  0.532921  0.950755  0.646501  1
  Sm  Sm158  1  0.529950  0.605918  0.676190  1
  Sm  Sm159  1  0.530572  0.226327  0.699430  1
  Sm  Sm160  1  0.419937  0.961559  0.684151  1
  Sm  Sm161  1  0.430613  0.693564  0.627590  1
  Sm  Sm162  1  0.427754  0.329152  0.654521  1
