# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   36.85606265
_cell_length_b   9.32175018
_cell_length_c   49.33911908
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.36458350
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm216
_cell_volume   16323.8404386
_cell_formula_units_Z   216
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  0.952234  0.100317  0.272113  1
  Sm  Sm2  1  0.285567  0.100317  0.272113  1
  Sm  Sm3  1  0.957994  0.370187  0.327746  1
  Sm  Sm4  1  0.618901  0.100317  0.272113  1
  Sm  Sm5  1  0.291327  0.370187  0.327746  1
  Sm  Sm6  1  0.963733  0.722756  0.302031  1
  Sm  Sm7  1  0.624661  0.370187  0.327746  1
  Sm  Sm8  1  0.297066  0.722756  0.302031  1
  Sm  Sm9  1  0.630400  0.722756  0.302031  1
  Sm  Sm10  1  0.821243  0.239605  0.262127  1
  Sm  Sm11  1  0.154576  0.239605  0.262127  1
  Sm  Sm12  1  0.794823  0.538251  0.314596  1
  Sm  Sm13  1  0.487910  0.239605  0.262127  1
  Sm  Sm14  1  0.128156  0.538251  0.314596  1
  Sm  Sm15  1  0.795948  0.901771  0.288770  1
  Sm  Sm16  1  0.461489  0.538251  0.314596  1
  Sm  Sm17  1  0.129281  0.901771  0.288770  1
  Sm  Sm18  1  0.462615  0.901771  0.288770  1
  Sm  Sm19  1  0.715362  0.379876  0.286879  1
  Sm  Sm20  1  0.048696  0.379876  0.286879  1
  Sm  Sm21  1  0.717246  0.755979  0.264243  1
  Sm  Sm22  1  0.382029  0.379876  0.286879  1
  Sm  Sm23  1  0.050579  0.755979  0.264243  1
  Sm  Sm24  1  0.705719  0.044230  0.315706  1
  Sm  Sm25  1  0.383912  0.755979  0.264243  1
  Sm  Sm26  1  0.039053  0.044230  0.315706  1
  Sm  Sm27  1  0.372386  0.044230  0.315706  1
  Sm  Sm28  1  0.877593  0.070484  0.315939  1
  Sm  Sm29  1  0.210926  0.070484  0.315939  1
  Sm  Sm30  1  0.882654  0.471394  0.280245  1
  Sm  Sm31  1  0.544259  0.070484  0.315939  1
  Sm  Sm32  1  0.215988  0.471394  0.280245  1
  Sm  Sm33  1  0.886407  0.840208  0.255761  1
  Sm  Sm34  1  0.549321  0.471394  0.280245  1
  Sm  Sm35  1  0.219741  0.840208  0.255761  1
  Sm  Sm36  1  0.553074  0.840208  0.255761  1
  Sm  Sm37  1  0.956118  0.029687  0.354770  1
  Sm  Sm38  1  0.289452  0.029687  0.354770  1
  Sm  Sm39  1  0.947298  0.355224  0.404466  1
  Sm  Sm40  1  0.622785  0.029687  0.354770  1
  Sm  Sm41  1  0.280631  0.355224  0.404466  1
  Sm  Sm42  1  0.950595  0.695271  0.378452  1
  Sm  Sm43  1  0.613965  0.355224  0.404466  1
  Sm  Sm44  1  0.283928  0.695271  0.378452  1
  Sm  Sm45  1  0.617261  0.695271  0.378452  1
  Sm  Sm46  1  0.787190  0.204732  0.340485  1
  Sm  Sm47  1  0.120524  0.204732  0.340485  1
  Sm  Sm48  1  0.782731  0.525235  0.391554  1
  Sm  Sm49  1  0.453857  0.204732  0.340485  1
  Sm  Sm50  1  0.116064  0.525235  0.391554  1
  Sm  Sm51  1  0.787273  0.865322  0.365950  1
  Sm  Sm52  1  0.449397  0.525235  0.391554  1
  Sm  Sm53  1  0.120606  0.865322  0.365950  1
  Sm  Sm54  1  0.453940  0.865322  0.365950  1
  Sm  Sm55  1  0.702050  0.371322  0.365810  1
  Sm  Sm56  1  0.035383  0.371322  0.365810  1
  Sm  Sm57  1  0.708957  0.700985  0.341235  1
  Sm  Sm58  1  0.368716  0.371322  0.365810  1
  Sm  Sm59  1  0.042290  0.700985  0.341235  1
  Sm  Sm60  1  0.699518  0.028244  0.392051  1
  Sm  Sm61  1  0.375623  0.700985  0.341235  1
  Sm  Sm62  1  0.032851  0.028244  0.392051  1
  Sm  Sm63  1  0.366185  0.028244  0.392051  1
  Sm  Sm64  1  0.865868  0.026547  0.390815  1
  Sm  Sm65  1  0.199201  0.026547  0.390815  1
  Sm  Sm66  1  0.869771  0.370776  0.364077  1
  Sm  Sm67  1  0.532535  0.026547  0.390815  1
  Sm  Sm68  1  0.203104  0.370776  0.364077  1
  Sm  Sm69  1  0.873333  0.714669  0.337781  1
  Sm  Sm70  1  0.536437  0.370776  0.364077  1
  Sm  Sm71  1  0.206666  0.714669  0.337781  1
  Sm  Sm72  1  0.539999  0.714669  0.337781  1
  Sm  Sm73  1  0.943826  1.012649  0.430474  1
  Sm  Sm74  1  0.277159  1.012649  0.430474  1
  Sm  Sm75  1  0.935631  0.330573  0.481558  1
  Sm  Sm76  1  0.610492  1.012649  0.430474  1
  Sm  Sm77  1  0.268965  0.330573  0.481558  1
  Sm  Sm78  1  0.939305  0.671897  0.455784  1
  Sm  Sm79  1  0.602298  0.330573  0.481558  1
  Sm  Sm80  1  0.272638  0.671897  0.455784  1
  Sm  Sm81  1  0.605972  0.671897  0.455784  1
  Sm  Sm82  1  0.778098  0.184402  0.417294  1
  Sm  Sm83  1  0.111431  0.184402  0.417294  1
  Sm  Sm84  1  0.770909  0.501220  0.468599  1
  Sm  Sm85  1  0.444765  0.184402  0.417294  1
  Sm  Sm86  1  0.104242  0.501220  0.468599  1
  Sm  Sm87  1  0.774749  0.842846  0.442985  1
  Sm  Sm88  1  0.437575  0.501220  0.468599  1
  Sm  Sm89  1  0.108082  0.842846  0.442985  1
  Sm  Sm90  1  0.441416  0.842846  0.442985  1
  Sm  Sm91  1  0.691203  0.344506  0.443965  1
  Sm  Sm92  1  0.024536  0.344506  0.443965  1
  Sm  Sm93  1  0.694968  0.685926  0.418198  1
  Sm  Sm94  1  0.357870  0.344506  0.443965  1
  Sm  Sm95  1  0.028302  0.685926  0.418198  1
  Sm  Sm96  1  0.687609  1.003342  0.469774  1
  Sm  Sm97  1  0.361635  0.685926  0.418198  1
  Sm  Sm98  1  0.020943  1.003342  0.469774  1
  Sm  Sm99  1  0.354276  1.003342  0.469774  1
  Sm  Sm100  1  0.854377  0.999584  0.467792  1
  Sm  Sm101  1  0.187710  0.999584  0.467792  1
  Sm  Sm102  1  0.858334  0.341240  0.441646  1
  Sm  Sm103  1  0.521044  0.999584  0.467792  1
  Sm  Sm104  1  0.191668  0.341240  0.441646  1
  Sm  Sm105  1  0.862138  0.683256  0.416087  1
  Sm  Sm106  1  0.525001  0.341240  0.441646  1
  Sm  Sm107  1  0.195471  0.683256  0.416087  1
  Sm  Sm108  1  0.528804  0.683256  0.416087  1
  Sm  Sm109  1  0.931975  0.988743  0.507382  1
  Sm  Sm110  1  0.265308  0.988743  0.507382  1
  Sm  Sm111  1  0.923962  0.305430  0.558354  1
  Sm  Sm112  1  0.598642  0.988743  0.507382  1
  Sm  Sm113  1  0.257296  0.305430  0.558354  1
  Sm  Sm114  1  0.927459  0.648614  0.532893  1
  Sm  Sm115  1  0.590629  0.305430  0.558354  1
  Sm  Sm116  1  0.260793  0.648614  0.532893  1
  Sm  Sm117  1  0.594126  0.648614  0.532893  1
  Sm  Sm118  1  0.767040  0.160055  0.494614  1
  Sm  Sm119  1  0.100373  0.160055  0.494614  1
  Sm  Sm120  1  0.760070  0.477185  0.546007  1
  Sm  Sm121  1  0.433707  0.160055  0.494614  1
  Sm  Sm122  1  0.093403  0.477185  0.546007  1
  Sm  Sm123  1  0.763287  0.818482  0.520122  1
  Sm  Sm124  1  0.426736  0.477185  0.546007  1
  Sm  Sm125  1  0.096620  0.818482  0.520122  1
  Sm  Sm126  1  0.429954  0.818482  0.520122  1
  Sm  Sm127  1  0.679653  0.320233  0.521426  1
  Sm  Sm128  1  0.012986  0.320233  0.521426  1
  Sm  Sm129  1  0.683581  0.661559  0.495432  1
  Sm  Sm130  1  0.346320  0.320233  0.521426  1
  Sm  Sm131  1  0.016914  0.661559  0.495432  1
  Sm  Sm132  1  0.675966  0.977806  0.547107  1
  Sm  Sm133  1  0.350248  0.661559  0.495432  1
  Sm  Sm134  1  0.009300  0.977806  0.547107  1
  Sm  Sm135  1  0.342633  0.977806  0.547107  1
  Sm  Sm136  1  0.842951  0.975246  0.545147  1
  Sm  Sm137  1  0.176285  0.975246  0.545147  1
  Sm  Sm138  1  0.846718  0.316319  0.519018  1
  Sm  Sm139  1  0.509618  0.975246  0.545147  1
  Sm  Sm140  1  0.180051  0.316319  0.519018  1
  Sm  Sm141  1  0.850407  0.657724  0.493527  1
  Sm  Sm142  1  0.513384  0.316319  0.519018  1
  Sm  Sm143  1  0.183741  0.657724  0.493527  1
  Sm  Sm144  1  0.517074  0.657724  0.493527  1
  Sm  Sm145  1  0.920769  0.965747  0.585023  1
  Sm  Sm146  1  0.254102  0.965747  0.585023  1
  Sm  Sm147  1  0.913467  0.290832  0.635960  1
  Sm  Sm148  1  0.587436  0.965747  0.585023  1
  Sm  Sm149  1  0.246800  0.290832  0.635960  1
  Sm  Sm150  1  0.915030  0.627193  0.608595  1
  Sm  Sm151  1  0.580134  0.290832  0.635960  1
  Sm  Sm152  1  0.248363  0.627193  0.608595  1
  Sm  Sm153  1  0.581696  0.627193  0.608595  1
  Sm  Sm154  1  0.754899  0.136015  0.571579  1
  Sm  Sm155  1  0.088233  0.136015  0.571579  1
  Sm  Sm156  1  0.749763  0.459277  0.622422  1
  Sm  Sm157  1  0.421566  0.136015  0.571579  1
  Sm  Sm158  1  0.083096  0.459277  0.622422  1
  Sm  Sm159  1  0.751530  0.795380  0.597642  1
  Sm  Sm160  1  0.416430  0.459277  0.622422  1
  Sm  Sm161  1  0.084863  0.795380  0.597642  1
  Sm  Sm162  1  0.418197  0.795380  0.597642  1
  Sm  Sm163  1  0.667872  0.292579  0.598976  1
  Sm  Sm164  1  1.001206  0.292579  0.598976  1
  Sm  Sm165  1  0.672025  0.635202  0.572276  1
  Sm  Sm166  1  0.334539  0.292579  0.598976  1
  Sm  Sm167  1  0.005358  0.635202  0.572276  1
  Sm  Sm168  1  0.665508  0.951220  0.624764  1
  Sm  Sm169  1  0.338692  0.635202  0.572276  1
  Sm  Sm170  1  0.998841  0.951220  0.624764  1
  Sm  Sm171  1  0.332175  0.951220  0.624764  1
  Sm  Sm172  1  0.828298  0.954639  0.621775  1
  Sm  Sm173  1  0.161632  0.954639  0.621775  1
  Sm  Sm174  1  0.835930  0.289632  0.597274  1
  Sm  Sm175  1  0.494965  0.954639  0.621775  1
  Sm  Sm176  1  0.169264  0.289632  0.597274  1
  Sm  Sm177  1  0.838491  0.632108  0.571309  1
  Sm  Sm178  1  0.502597  0.289632  0.597274  1
  Sm  Sm179  1  0.171824  0.632108  0.571309  1
  Sm  Sm180  1  0.505158  0.632108  0.571309  1
  Sm  Sm181  1  0.907686  0.939949  0.659288  1
  Sm  Sm182  1  0.241020  0.939949  0.659288  1
  Sm  Sm183  1  0.896336  0.232895  0.711219  1
  Sm  Sm184  1  0.574353  0.939949  0.659288  1
  Sm  Sm185  1  0.229669  0.232895  0.711219  1
  Sm  Sm186  1  0.923030  0.578384  0.692648  1
  Sm  Sm187  1  0.563003  0.232895  0.711219  1
  Sm  Sm188  1  0.256363  0.578384  0.692648  1
  Sm  Sm189  1  0.589697  0.578384  0.692648  1
  Sm  Sm190  1  0.742800  0.125279  0.648719  1
  Sm  Sm191  1  0.076133  0.125279  0.648719  1
  Sm  Sm192  1  0.715198  0.442110  0.701804  1
  Sm  Sm193  1  0.409467  0.125279  0.648719  1
  Sm  Sm194  1  0.048531  0.442110  0.701804  1
  Sm  Sm195  1  0.743853  0.764766  0.674593  1
  Sm  Sm196  1  0.381864  0.442110  0.701804  1
  Sm  Sm197  1  0.077186  0.764766  0.674593  1
  Sm  Sm198  1  0.410520  0.764766  0.674593  1
  Sm  Sm199  1  0.656831  0.208693  0.681075  1
  Sm  Sm200  1  0.990165  0.208693  0.681075  1
  Sm  Sm201  1  0.660425  0.601927  0.647066  1
  Sm  Sm202  1  0.323498  0.208693  0.681075  1
  Sm  Sm203  1  0.993758  0.601927  0.647066  1
  Sm  Sm204  1  0.650202  0.858629  0.706797  1
  Sm  Sm205  1  0.327091  0.601927  0.647066  1
  Sm  Sm206  1  0.983535  0.858629  0.706797  1
  Sm  Sm207  1  0.316869  0.858629  0.706797  1
  Sm  Sm208  1  0.825194  0.912617  0.699808  1
  Sm  Sm209  1  0.158528  0.912617  0.699808  1
  Sm  Sm210  1  0.816631  0.280703  0.673671  1
  Sm  Sm211  1  0.491861  0.912617  0.699808  1
  Sm  Sm212  1  0.149965  0.280703  0.673671  1
  Sm  Sm213  1  0.834945  0.606486  0.650254  1
  Sm  Sm214  1  0.483298  0.280703  0.673671  1
  Sm  Sm215  1  0.168279  0.606486  0.650254  1
  Sm  Sm216  1  0.501612  0.606486  0.650254  1
