# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.55281262
_cell_length_b   17.17409128
_cell_length_c   51.44211839
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.51438677
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm144
_cell_volume   10968.6504944
_cell_formula_units_Z   144
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  0.378928  0.631974  0.290203  1
  Sm  Sm2  1  0.712261  0.298641  0.290203  1
  Sm  Sm3  1  0.798233  0.649651  0.250043  1
  Sm  Sm4  1  0.045595  0.965307  0.290203  1
  Sm  Sm5  1  0.131566  0.316317  0.250043  1
  Sm  Sm6  1  0.090948  0.631797  0.267738  1
  Sm  Sm7  1  0.464900  0.982984  0.250043  1
  Sm  Sm8  1  0.424282  0.298464  0.267738  1
  Sm  Sm9  1  0.757615  0.965130  0.267738  1
  Sm  Sm10  1  0.550779  0.786695  0.278172  1
  Sm  Sm11  1  0.884113  0.453362  0.278172  1
  Sm  Sm12  1  0.979365  0.819475  0.242867  1
  Sm  Sm13  1  0.217446  0.120028  0.278172  1
  Sm  Sm14  1  0.312698  0.486142  0.242867  1
  Sm  Sm15  1  0.264587  0.827458  0.261234  1
  Sm  Sm16  1  0.646032  0.152809  0.242867  1
  Sm  Sm17  1  0.597920  0.494124  0.261234  1
  Sm  Sm18  1  0.931254  0.160791  0.261234  1
  Sm  Sm19  1  0.210319  0.596371  0.347626  1
  Sm  Sm20  1  0.543653  0.263038  0.347626  1
  Sm  Sm21  1  0.670861  0.615835  0.312994  1
  Sm  Sm22  1  0.876986  0.929704  0.347626  1
  Sm  Sm23  1  1.004195  0.282501  0.312994  1
  Sm  Sm24  1  0.943294  0.603141  0.328082  1
  Sm  Sm25  1  0.337528  0.949168  0.312994  1
  Sm  Sm26  1  0.276627  0.269807  0.328082  1
  Sm  Sm27  1  0.609960  0.936474  0.328082  1
  Sm  Sm28  1  0.356193  0.768835  0.336709  1
  Sm  Sm29  1  0.689526  0.435502  0.336709  1
  Sm  Sm30  1  0.823526  0.785880  0.300772  1
  Sm  Sm31  1  1.022860  0.102168  0.336709  1
  Sm  Sm32  1  0.156859  0.452546  0.300772  1
  Sm  Sm33  1  0.094652  0.777527  0.316998  1
  Sm  Sm34  1  0.490192  0.119213  0.300772  1
  Sm  Sm35  1  0.427985  0.444194  0.316998  1
  Sm  Sm36  1  0.761319  0.110860  0.316998  1
  Sm  Sm37  1  1.010121  0.569929  0.403164  1
  Sm  Sm38  1  0.343454  0.236595  0.403164  1
  Sm  Sm39  1  0.476602  0.587558  0.366472  1
  Sm  Sm40  1  0.676787  0.903262  0.403164  1
  Sm  Sm41  1  0.809936  0.254225  0.366472  1
  Sm  Sm42  1  0.743115  0.579331  0.385172  1
  Sm  Sm43  1  0.143269  0.920892  0.366472  1
  Sm  Sm44  1  0.076449  0.245998  0.385172  1
  Sm  Sm45  1  0.409782  0.912665  0.385172  1
  Sm  Sm46  1  0.143808  0.742107  0.390181  1
  Sm  Sm47  1  0.477141  0.408774  0.390181  1
  Sm  Sm48  1  0.612205  0.763738  0.354969  1
  Sm  Sm49  1  0.810474  0.075441  0.390181  1
  Sm  Sm50  1  0.945538  0.430404  0.354969  1
  Sm  Sm51  1  0.878683  0.749332  0.371358  1
  Sm  Sm52  1  0.278872  0.097071  0.354969  1
  Sm  Sm53  1  0.212016  0.415999  0.371358  1
  Sm  Sm54  1  0.545350  0.082665  0.371358  1
  Sm  Sm55  1  0.807748  0.541698  0.458196  1
  Sm  Sm56  1  0.141082  0.208365  0.458196  1
  Sm  Sm57  1  0.275393  0.559157  0.420958  1
  Sm  Sm58  1  0.474415  0.875031  0.458196  1
  Sm  Sm59  1  0.608726  0.225824  0.420958  1
  Sm  Sm60  1  0.541353  0.550722  0.439442  1
  Sm  Sm61  1  0.942060  0.892490  0.420958  1
  Sm  Sm62  1  0.874687  0.217389  0.439442  1
  Sm  Sm63  1  0.208020  0.884056  0.439442  1
  Sm  Sm64  1  0.941217  0.714279  0.445338  1
  Sm  Sm65  1  0.274550  0.380946  0.445338  1
  Sm  Sm66  1  0.409438  0.732728  0.409166  1
  Sm  Sm67  1  0.607884  0.047613  0.445338  1
  Sm  Sm68  1  0.742771  0.399394  0.409166  1
  Sm  Sm69  1  0.675832  0.724326  0.427209  1
  Sm  Sm70  1  0.076105  0.066061  0.409166  1
  Sm  Sm71  1  1.009165  0.390992  0.427209  1
  Sm  Sm72  1  0.342499  0.057659  0.427209  1
  Sm  Sm73  1  0.605799  0.513520  0.512417  1
  Sm  Sm74  1  0.939133  0.180187  0.512417  1
  Sm  Sm75  1  0.074021  0.531969  0.476245  1
  Sm  Sm76  1  0.272466  0.846854  0.512417  1
  Sm  Sm77  1  0.407354  0.198635  0.476245  1
  Sm  Sm78  1  0.339405  0.521922  0.494374  1
  Sm  Sm79  1  0.740687  0.865302  0.476245  1
  Sm  Sm80  1  0.672739  0.188589  0.494374  1
  Sm  Sm81  1  1.006072  0.855256  0.494374  1
  Sm  Sm82  1  0.739845  0.687091  0.500624  1
  Sm  Sm83  1  0.073178  0.353758  0.500624  1
  Sm  Sm84  1  0.207489  0.704550  0.463386  1
  Sm  Sm85  1  0.406511  0.020424  0.500624  1
  Sm  Sm86  1  0.540822  0.371217  0.463386  1
  Sm  Sm87  1  0.473884  0.695526  0.482141  1
  Sm  Sm88  1  0.874156  0.037883  0.463386  1
  Sm  Sm89  1  0.807217  0.362192  0.482141  1
  Sm  Sm90  1  0.140551  0.028859  0.482141  1
  Sm  Sm91  1  0.403033  0.482510  0.566613  1
  Sm  Sm92  1  0.736366  0.149177  0.566613  1
  Sm  Sm93  1  0.871430  0.504141  0.531402  1
  Sm  Sm94  1  0.069699  0.815844  0.566613  1
  Sm  Sm95  1  0.204763  0.170807  0.531402  1
  Sm  Sm96  1  0.136555  0.496916  0.550224  1
  Sm  Sm97  1  0.538096  0.837474  0.531402  1
  Sm  Sm98  1  0.469888  0.163583  0.550224  1
  Sm  Sm99  1  0.803221  0.830249  0.550224  1
  Sm  Sm100  1  0.538635  0.658690  0.555111  1
  Sm  Sm101  1  0.871968  0.325356  0.555111  1
  Sm  Sm102  1  1.005117  0.676319  0.518419  1
  Sm  Sm103  1  0.205302  0.992023  0.555111  1
  Sm  Sm104  1  0.338450  0.342986  0.518419  1
  Sm  Sm105  1  0.272122  0.666917  0.536410  1
  Sm  Sm106  1  0.671783  0.009653  0.518419  1
  Sm  Sm107  1  0.605455  0.333583  0.536410  1
  Sm  Sm108  1  0.938789  1.000250  0.536410  1
  Sm  Sm109  1  0.191712  0.460368  0.620810  1
  Sm  Sm110  1  0.525045  0.127035  0.620810  1
  Sm  Sm111  1  0.659044  0.477413  0.584874  1
  Sm  Sm112  1  0.858379  0.793702  0.620810  1
  Sm  Sm113  1  0.992378  0.144080  0.584874  1
  Sm  Sm114  1  0.920585  0.468721  0.604585  1
  Sm  Sm115  1  0.325711  0.810746  0.584874  1
  Sm  Sm116  1  0.253919  0.135388  0.604585  1
  Sm  Sm117  1  0.587252  0.802054  0.604585  1
  Sm  Sm118  1  0.344376  0.630413  0.608589  1
  Sm  Sm119  1  0.677709  0.297080  0.608589  1
  Sm  Sm120  1  0.804918  0.649877  0.573957  1
  Sm  Sm121  1  1.011043  0.963747  0.608589  1
  Sm  Sm122  1  0.138251  0.316544  0.573957  1
  Sm  Sm123  1  0.071944  0.643107  0.593501  1
  Sm  Sm124  1  0.471585  0.983210  0.573957  1
  Sm  Sm125  1  0.405277  0.309774  0.593501  1
  Sm  Sm126  1  0.738610  0.976441  0.593501  1
  Sm  Sm127  1  0.035872  0.426773  0.678716  1
  Sm  Sm128  1  0.369206  0.093439  0.678716  1
  Sm  Sm129  1  0.464458  0.459553  0.643411  1
  Sm  Sm130  1  0.702539  0.760106  0.678716  1
  Sm  Sm131  1  0.797791  0.126220  0.643411  1
  Sm  Sm132  1  0.750650  0.418790  0.660349  1
  Sm  Sm133  1  0.131125  0.792886  0.643411  1
  Sm  Sm134  1  0.083984  0.085457  0.660349  1
  Sm  Sm135  1  0.417317  0.752124  0.660349  1
  Sm  Sm136  1  0.217004  0.596597  0.671540  1
  Sm  Sm137  1  0.550338  0.263264  0.671540  1
  Sm  Sm138  1  0.636309  0.614274  0.631379  1
  Sm  Sm139  1  0.883671  0.929931  0.671540  1
  Sm  Sm140  1  0.969643  0.280941  0.631379  1
  Sm  Sm141  1  0.924289  0.614451  0.653844  1
  Sm  Sm142  1  0.302976  0.947607  0.631379  1
  Sm  Sm143  1  0.257622  0.281118  0.653844  1
  Sm  Sm144  1  0.590956  0.947784  0.653844  1
