# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.14045493
_cell_length_b   14.96007286
_cell_length_c   50.37259169
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.33153278
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm108
_cell_volume   9118.42279011
_cell_formula_units_Z   108
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  0.060914  0.388004  0.328936  1
  Sm  Sm2  1  0.387337  0.045785  0.337884  1
  Sm  Sm3  1  0.354668  0.360191  0.363103  1
  Sm  Sm4  1  0.726584  0.716591  0.326601  1
  Sm  Sm5  1  0.798554  0.112354  0.281577  1
  Sm  Sm6  1  0.762429  0.408564  0.302725  1
  Sm  Sm7  1  0.148013  0.777443  0.282969  1
  Sm  Sm8  1  0.103855  0.070472  0.304211  1
  Sm  Sm9  1  0.421944  0.742918  0.315406  1
  Sm  Sm10  1  0.953113  0.598012  0.290685  1
  Sm  Sm11  1  0.279625  0.259070  0.300201  1
  Sm  Sm12  1  0.245476  0.554003  0.320171  1
  Sm  Sm13  1  0.607224  0.929840  0.297788  1
  Sm  Sm14  1  0.572685  0.228601  0.321050  1
  Sm  Sm15  1  0.541623  0.533793  0.344011  1
  Sm  Sm16  1  0.912665  0.896490  0.313887  1
  Sm  Sm17  1  0.891161  0.213641  0.339373  1
  Sm  Sm18  1  0.205986  0.874552  0.348091  1
  Sm  Sm19  1  0.978381  0.328533  0.400183  1
  Sm  Sm20  1  0.295094  0.987742  0.409663  1
  Sm  Sm21  1  0.263453  0.300667  0.432858  1
  Sm  Sm22  1  0.637950  0.661534  0.397562  1
  Sm  Sm23  1  0.703575  0.037445  0.353434  1
  Sm  Sm24  1  0.672757  0.348238  0.376195  1
  Sm  Sm25  1  0.040600  0.699119  0.352196  1
  Sm  Sm26  1  0.006799  0.014306  0.376390  1
  Sm  Sm27  1  0.325336  0.671762  0.385178  1
  Sm  Sm28  1  0.858108  0.526885  0.361754  1
  Sm  Sm29  1  0.177076  0.185216  0.369965  1
  Sm  Sm30  1  0.145546  0.500474  0.393704  1
  Sm  Sm31  1  0.515325  0.854812  0.370663  1
  Sm  Sm32  1  0.483142  0.166329  0.393798  1
  Sm  Sm33  1  0.452479  0.480701  0.417429  1
  Sm  Sm34  1  0.829006  0.839605  0.384171  1
  Sm  Sm35  1  0.798236  0.154857  0.408729  1
  Sm  Sm36  1  0.115217  0.812996  0.417573  1
  Sm  Sm37  1  0.881246  0.269678  0.470351  1
  Sm  Sm38  1  0.200039  0.927952  0.480087  1
  Sm  Sm39  1  0.167799  0.241988  0.503509  1
  Sm  Sm40  1  0.544990  0.603525  0.469376  1
  Sm  Sm41  1  0.608692  0.976025  0.422652  1
  Sm  Sm42  1  0.576052  0.289968  0.446055  1
  Sm  Sm43  1  0.944879  0.642317  0.423229  1
  Sm  Sm44  1  0.912852  0.955670  0.446720  1
  Sm  Sm45  1  0.231419  0.614507  0.456418  1
  Sm  Sm46  1  0.766006  0.469219  0.431914  1
  Sm  Sm47  1  0.084054  0.126919  0.441334  1
  Sm  Sm48  1  0.052309  0.441022  0.464836  1
  Sm  Sm49  1  0.420243  0.793382  0.440968  1
  Sm  Sm50  1  0.388963  0.107484  0.465029  1
  Sm  Sm51  1  0.356994  0.421345  0.488461  1
  Sm  Sm52  1  0.733036  0.781969  0.454545  1
  Sm  Sm53  1  0.701413  0.096264  0.478638  1
  Sm  Sm54  1  0.019730  0.754775  0.488247  1
  Sm  Sm55  1  0.785684  0.211224  0.540923  1
  Sm  Sm56  1  0.105244  0.869614  0.550773  1
  Sm  Sm57  1  0.072002  0.183070  0.573774  1
  Sm  Sm58  1  0.449158  0.544301  0.540402  1
  Sm  Sm59  1  0.513124  0.917058  0.493139  1
  Sm  Sm60  1  0.480613  0.231048  0.517001  1
  Sm  Sm61  1  0.849811  0.583409  0.493755  1
  Sm  Sm62  1  0.817703  0.897402  0.517198  1
  Sm  Sm63  1  0.135982  0.555832  0.527021  1
  Sm  Sm64  1  0.669620  0.410015  0.502016  1
  Sm  Sm65  1  0.987988  0.068515  0.511697  1
  Sm  Sm66  1  0.956137  0.382136  0.535432  1
  Sm  Sm67  1  0.324719  0.734630  0.512060  1
  Sm  Sm68  1  0.292830  0.048966  0.535898  1
  Sm  Sm69  1  0.260561  0.362784  0.559264  1
  Sm  Sm70  1  0.637655  0.723621  0.525136  1
  Sm  Sm71  1  0.605905  0.038134  0.549124  1
  Sm  Sm72  1  0.923633  0.695720  0.558375  1
  Sm  Sm73  1  0.690866  0.153692  0.611994  1
  Sm  Sm74  1  0.008123  0.811474  0.620025  1
  Sm  Sm75  1  0.975946  0.124577  0.643669  1
  Sm  Sm76  1  0.354825  0.485935  0.611646  1
  Sm  Sm77  1  0.417124  0.858692  0.563840  1
  Sm  Sm78  1  0.385949  0.172331  0.588222  1
  Sm  Sm79  1  0.753889  0.524486  0.564371  1
  Sm  Sm80  1  0.721368  0.837890  0.587321  1
  Sm  Sm81  1  0.040347  0.497768  0.597778  1
  Sm  Sm82  1  0.573904  0.351042  0.572589  1
  Sm  Sm83  1  0.891639  0.010407  0.582067  1
  Sm  Sm84  1  0.861264  0.323955  0.606273  1
  Sm  Sm85  1  0.227870  0.674609  0.582872  1
  Sm  Sm86  1  0.198378  0.990655  0.607426  1
  Sm  Sm87  1  0.164677  0.302506  0.628908  1
  Sm  Sm88  1  0.544277  0.664797  0.595592  1
  Sm  Sm89  1  0.513155  0.978842  0.619560  1
  Sm  Sm90  1  0.832101  0.637828  0.629232  1
  Sm  Sm91  1  0.593896  0.084759  0.682574  1
  Sm  Sm92  1  0.914369  0.752011  0.692035  1
  Sm  Sm93  1  0.877944  0.049148  0.713256  1
  Sm  Sm94  1  0.264408  0.413218  0.683685  1
  Sm  Sm95  1  0.324660  0.797285  0.632920  1
  Sm  Sm96  1  0.295827  0.116838  0.660504  1
  Sm  Sm97  1  0.661029  0.466861  0.634546  1
  Sm  Sm98  1  0.631056  0.778801  0.658765  1
  Sm  Sm99  1  0.956670  0.441863  0.668510  1
  Sm  Sm100  1  0.483988  0.292991  0.644291  1
  Sm  Sm101  1  0.801123  0.949009  0.651373  1
  Sm  Sm102  1  0.766555  0.270998  0.678621  1
  Sm  Sm103  1  0.139382  0.622323  0.655224  1
  Sm  Sm104  1  0.110051  0.929060  0.678450  1
  Sm  Sm105  1  0.073621  0.228738  0.701499  1
  Sm  Sm106  1  0.445201  0.606039  0.668079  1
  Sm  Sm107  1  0.410810  0.904167  0.689638  1
  Sm  Sm108  1  0.724640  0.564211  0.699146  1
