# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.77420798
_cell_length_b   16.42283718
_cell_length_c   46.99844369
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.90955823
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm144
_cell_volume   11447.5868113
_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  0.152249  0.690514  0.314227  1
  Sm  Sm2  1  0.036081  0.449081  0.283426  1
  Sm  Sm3  1  0.700030  0.112100  0.283730  1
  Sm  Sm4  1  0.756848  0.747894  0.296293  1
  Sm  Sm5  1  0.424323  0.414668  0.298161  1
  Sm  Sm6  1  0.088386  0.080197  0.297960  1
  Sm  Sm7  1  0.925969  0.629448  0.280642  1
  Sm  Sm8  1  0.592160  0.294579  0.280650  1
  Sm  Sm9  1  0.257920  0.968026  0.281500  1
  Sm  Sm10  1  0.582217  0.859372  0.311104  1
  Sm  Sm11  1  0.253969  0.526581  0.313322  1
  Sm  Sm12  1  0.921782  0.198687  0.311528  1
  Sm  Sm13  1  0.959350  0.556496  0.352059  1
  Sm  Sm14  1  0.813074  0.354618  0.315612  1
  Sm  Sm15  1  0.478580  0.022971  0.316367  1
  Sm  Sm16  1  0.546790  0.624255  0.332062  1
  Sm  Sm17  1  0.198632  0.299030  0.326123  1
  Sm  Sm18  1  0.863511  0.965450  0.325560  1
  Sm  Sm19  1  0.716566  0.517843  0.314622  1
  Sm  Sm20  1  0.380216  0.189015  0.314847  1
  Sm  Sm21  1  0.047276  0.851535  0.314556  1
  Sm  Sm22  1  0.383001  0.729615  0.349567  1
  Sm  Sm23  1  0.045025  0.393515  0.354312  1
  Sm  Sm24  1  0.712445  0.058609  0.354370  1
  Sm  Sm25  1  0.772079  0.433653  0.388976  1
  Sm  Sm26  1  0.625586  0.219923  0.352457  1
  Sm  Sm27  1  0.289108  0.887805  0.353478  1
  Sm  Sm28  1  0.365605  0.492571  0.372498  1
  Sm  Sm29  1  0.032675  0.159147  0.371933  1
  Sm  Sm30  1  0.700854  0.826765  0.372095  1
  Sm  Sm31  1  0.548449  0.389697  0.355347  1
  Sm  Sm32  1  0.213030  0.058915  0.355311  1
  Sm  Sm33  1  0.875039  0.723861  0.354493  1
  Sm  Sm34  1  0.189260  0.601055  0.387069  1
  Sm  Sm35  1  0.853213  0.263536  0.387946  1
  Sm  Sm36  1  0.517589  0.930703  0.387498  1
  Sm  Sm37  1  0.582243  0.305498  0.426030  1
  Sm  Sm38  1  0.435453  0.103537  0.389096  1
  Sm  Sm39  1  0.099048  0.768807  0.388637  1
  Sm  Sm40  1  0.178245  0.367916  0.407443  1
  Sm  Sm41  1  0.845738  0.033326  0.408035  1
  Sm  Sm42  1  0.509318  0.701164  0.407672  1
  Sm  Sm43  1  0.348803  0.269464  0.387379  1
  Sm  Sm44  1  0.015356  0.935742  0.386821  1
  Sm  Sm45  1  0.686212  0.600947  0.389200  1
  Sm  Sm46  1  1.001126  0.471952  0.425004  1
  Sm  Sm47  1  0.666053  0.138179  0.425130  1
  Sm  Sm48  1  0.332943  0.803700  0.424771  1
  Sm  Sm49  1  0.393103  0.182204  0.462490  1
  Sm  Sm50  1  0.248909  0.970061  0.426232  1
  Sm  Sm51  1  0.916477  0.636730  0.426102  1
  Sm  Sm52  1  0.988376  0.245750  0.443747  1
  Sm  Sm53  1  0.653637  0.911977  0.443165  1
  Sm  Sm54  1  0.320006  0.577844  0.444421  1
  Sm  Sm55  1  0.165729  0.139298  0.427825  1
  Sm  Sm56  1  0.833265  0.805772  0.427977  1
  Sm  Sm57  1  0.499257  0.474494  0.426911  1
  Sm  Sm58  1  0.809801  0.346922  0.461245  1
  Sm  Sm59  1  0.475982  0.013479  0.460999  1
  Sm  Sm60  1  0.143475  0.680664  0.460904  1
  Sm  Sm61  1  0.204552  0.055924  0.499192  1
  Sm  Sm62  1  0.059686  0.848971  0.462318  1
  Sm  Sm63  1  0.726709  0.515621  0.462480  1
  Sm  Sm64  1  0.800391  0.118780  0.480755  1
  Sm  Sm65  1  0.467155  0.785550  0.481015  1
  Sm  Sm66  1  0.133504  0.451818  0.481224  1
  Sm  Sm67  1  0.976994  0.016692  0.463146  1
  Sm  Sm68  1  0.643166  0.683552  0.463323  1
  Sm  Sm69  1  0.310434  0.350118  0.462917  1
  Sm  Sm70  1  0.621413  0.221397  0.498155  1
  Sm  Sm71  1  0.288810  0.887595  0.498259  1
  Sm  Sm72  1  0.955459  0.554682  0.498236  1
  Sm  Sm73  1  0.015707  0.930689  0.535824  1
  Sm  Sm74  1  0.871318  0.723336  0.499044  1
  Sm  Sm75  1  0.537975  0.390030  0.499039  1
  Sm  Sm76  1  0.609703  0.994693  0.516807  1
  Sm  Sm77  1  0.276308  0.661125  0.517341  1
  Sm  Sm78  1  0.943222  0.328093  0.517082  1
  Sm  Sm79  1  0.787239  0.892008  0.499837  1
  Sm  Sm80  1  0.454678  0.558710  0.499960  1
  Sm  Sm81  1  0.121297  0.224969  0.499976  1
  Sm  Sm82  1  0.432833  0.095986  0.534961  1
  Sm  Sm83  1  0.099664  0.762923  0.534787  1
  Sm  Sm84  1  0.765806  0.429600  0.535131  1
  Sm  Sm85  1  0.825711  0.809579  0.571990  1
  Sm  Sm86  1  0.682777  0.597424  0.535770  1
  Sm  Sm87  1  0.349231  0.264055  0.535612  1
  Sm  Sm88  1  0.423747  0.868774  0.554272  1
  Sm  Sm89  1  0.088904  0.534635  0.554719  1
  Sm  Sm90  1  0.755718  0.201754  0.553620  1
  Sm  Sm91  1  0.599581  0.766046  0.537255  1
  Sm  Sm92  1  0.266711  0.433093  0.536820  1
  Sm  Sm93  1  0.932583  0.099255  0.536937  1
  Sm  Sm94  1  0.242933  0.971879  0.570895  1
  Sm  Sm95  1  0.909858  0.640544  0.570010  1
  Sm  Sm96  1  0.577060  0.305062  0.571083  1
  Sm  Sm97  1  0.642268  0.676323  0.609281  1
  Sm  Sm98  1  0.493532  0.474468  0.572062  1
  Sm  Sm99  1  0.159159  0.140918  0.572186  1
  Sm  Sm100  1  0.233693  0.745723  0.590448  1
  Sm  Sm101  1  0.898533  0.412464  0.590583  1
  Sm  Sm102  1  0.567673  0.077832  0.590906  1
  Sm  Sm103  1  0.410356  0.642445  0.573295  1
  Sm  Sm104  1  0.075813  0.307851  0.573011  1
  Sm  Sm105  1  0.742099  0.975312  0.573331  1
  Sm  Sm106  1  0.057080  0.845682  0.609276  1
  Sm  Sm107  1  0.727904  0.510871  0.610869  1
  Sm  Sm108  1  0.390049  0.178492  0.608716  1
  Sm  Sm109  1  0.450572  0.559304  0.645057  1
  Sm  Sm110  1  0.303253  0.344811  0.608812  1
  Sm  Sm111  1  0.972196  0.012661  0.609412  1
  Sm  Sm112  1  0.043363  0.621023  0.625945  1
  Sm  Sm113  1  0.712299  0.289067  0.625457  1
  Sm  Sm114  1  0.377032  0.954342  0.625432  1
  Sm  Sm115  1  0.224617  0.517036  0.610336  1
  Sm  Sm116  1  0.887238  0.180404  0.610556  1
  Sm  Sm117  1  0.555414  0.846385  0.611260  1
  Sm  Sm118  1  0.867361  0.721445  0.643152  1
  Sm  Sm119  1  0.527742  0.389286  0.642255  1
  Sm  Sm120  1  0.198266  0.057137  0.643050  1
  Sm  Sm121  1  0.263685  0.422901  0.681887  1
  Sm  Sm122  1  0.114626  0.223831  0.646229  1
  Sm  Sm123  1  0.784114  0.889211  0.645432  1
  Sm  Sm124  1  0.881478  0.483293  0.672438  1
  Sm  Sm125  1  0.532558  0.157921  0.665757  1
  Sm  Sm126  1  0.199503  0.823814  0.666600  1
  Sm  Sm127  1  0.032904  0.388929  0.643547  1
  Sm  Sm128  1  0.697585  0.052671  0.647584  1
  Sm  Sm129  1  0.362238  0.720636  0.648015  1
  Sm  Sm130  1  0.694806  0.592416  0.682908  1
  Sm  Sm131  1  0.359400  0.259319  0.682829  1
  Sm  Sm132  1  0.025593  0.929730  0.683226  1
  Sm  Sm133  1  0.043153  0.334733  0.714552  1
  Sm  Sm134  1  0.923969  0.089463  0.684157  1
  Sm  Sm135  1  0.590795  0.754364  0.683319  1
  Sm  Sm136  1  0.654533  0.366695  0.699377  1
  Sm  Sm137  1  0.319690  0.032577  0.700660  1
  Sm  Sm138  1  0.988462  0.700048  0.701104  1
  Sm  Sm139  1  0.826873  0.255782  0.684129  1
  Sm  Sm140  1  0.499893  0.928963  0.684720  1
  Sm  Sm141  1  0.165370  0.589074  0.686377  1
  Sm  Sm142  1  0.484809  0.478618  0.716765  1
  Sm  Sm143  1  0.150305  0.150955  0.717554  1
  Sm  Sm144  1  0.817476  0.810835  0.716749  1
