# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.29162023
_cell_length_b   18.66147972
_cell_length_c   26.37080171
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm224
_cell_volume   7795.64794455
_cell_formula_units_Z   224
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  0.054389  0.095685  0.692367  1
  Sm  Sm2  1  0.076783  0.316656  0.666459  1
  Sm  Sm3  1  0.085778  0.523735  0.664454  1
  Sm  Sm4  1  0.078247  0.715474  0.664221  1
  Sm  Sm5  1  0.054539  0.898993  0.674212  1
  Sm  Sm6  1  0.261137  0.112544  0.667021  1
  Sm  Sm7  1  0.258877  0.309464  0.666017  1
  Sm  Sm8  1  0.277505  0.527648  0.666319  1
  Sm  Sm9  1  0.283652  0.735757  0.666059  1
  Sm  Sm10  1  0.273157  0.929113  0.669176  1
  Sm  Sm11  1  0.475387  0.148947  0.664585  1
  Sm  Sm12  1  0.457877  0.331133  0.666285  1
  Sm  Sm13  1  0.462658  0.533424  0.665981  1
  Sm  Sm14  1  0.475850  0.749197  0.666538  1
  Sm  Sm15  1  0.480579  0.956015  0.664663  1
  Sm  Sm16  1  0.683116  0.155800  0.662286  1
  Sm  Sm17  1  0.676287  0.349134  0.663389  1
  Sm  Sm18  1  0.658096  0.532070  0.666953  1
  Sm  Sm19  1  0.660374  0.734755  0.668656  1
  Sm  Sm20  1  0.674883  0.948708  0.667256  1
  Sm  Sm21  1  0.875138  0.126683  0.664695  1
  Sm  Sm22  1  0.886887  0.334005  0.668698  1
  Sm  Sm23  1  0.877968  0.526077  0.667978  1
  Sm  Sm24  1  0.857279  0.708203  0.667559  1
  Sm  Sm25  1  0.860304  0.912469  0.664194  1
  Sm  Sm26  1  0.013732  0.213600  0.779722  1
  Sm  Sm27  1  0.014878  0.403810  0.778629  1
  Sm  Sm28  1  1.000470  0.580390  0.778663  1
  Sm  Sm29  1  0.993365  0.766690  0.780864  1
  Sm  Sm30  1  0.182292  -0.000346  0.780712  1
  Sm  Sm31  1  0.216064  0.219708  0.780509  1
  Sm  Sm32  1  0.219166  0.422814  0.778385  1
  Sm  Sm33  1  0.214878  0.618991  0.777963  1
  Sm  Sm34  1  0.196460  0.804083  0.779251  1
  Sm  Sm35  1  0.392421  0.008126  0.780406  1
  Sm  Sm36  1  0.395166  0.202933  0.778617  1
  Sm  Sm37  1  0.412046  0.419290  0.777814  1
  Sm  Sm38  1  0.420572  0.627483  0.777223  1
  Sm  Sm39  1  0.411195  0.824094  0.777672  1
  Sm  Sm40  1  0.609876  -0.003291  0.779221  1
  Sm  Sm41  1  0.595379  0.183000  0.776908  1
  Sm  Sm42  1  0.594084  0.381482  0.776979  1
  Sm  Sm43  1  0.613586  0.598697  0.779283  1
  Sm  Sm44  1  0.622510  0.807601  0.779694  1
  Sm  Sm45  1  0.826337  0.991971  0.778555  1
  Sm  Sm46  1  0.805752  0.181322  0.777492  1
  Sm  Sm47  1  0.796392  0.370916  0.777075  1
  Sm  Sm48  1  0.793329  0.565356  0.779410  1
  Sm  Sm49  1  0.815675  0.785123  0.778291  1
  Sm  Sm50  1  0.060038  0.102861  0.868887  1
  Sm  Sm51  1  0.077892  0.321277  0.887717  1
  Sm  Sm52  1  0.078816  0.520379  0.890196  1
  Sm  Sm53  1  0.064363  0.706195  0.891173  1
  Sm  Sm54  1  0.053200  0.900600  0.884600  1
  Sm  Sm55  1  0.259841  0.117232  0.890507  1
  Sm  Sm56  1  0.263958  0.327505  0.887617  1
  Sm  Sm57  1  0.277038  0.541181  0.886958  1
  Sm  Sm58  1  0.276200  0.739538  0.888222  1
  Sm  Sm59  1  0.259300  0.922749  0.889085  1
  Sm  Sm60  1  0.466745  0.145018  0.890391  1
  Sm  Sm61  1  0.455143  0.334012  0.888039  1
  Sm  Sm62  1  0.464089  0.543366  0.887311  1
  Sm  Sm63  1  0.475521  0.755767  0.885857  1
  Sm  Sm64  1  0.473090  0.953919  0.888488  1
  Sm  Sm65  1  0.674691  0.143280  0.889666  1
  Sm  Sm66  1  0.666868  0.332398  0.886768  1
  Sm  Sm67  1  0.653239  0.519598  0.887420  1
  Sm  Sm68  1  0.660439  0.728494  0.887683  1
  Sm  Sm69  1  0.674136  0.942931  0.888790  1
  Sm  Sm70  1  0.871964  0.117504  0.890132  1
  Sm  Sm71  1  0.879510  0.318224  0.885092  1
  Sm  Sm72  1  0.868406  0.507481  0.887027  1
  Sm  Sm73  1  0.852942  0.698510  0.888868  1
  Sm  Sm74  1  0.858598  0.905590  0.887808  1
  Sm  Sm75  1  0.208201  0.218433  0.995705  1
  Sm  Sm76  1  0.210347  0.421040  0.998358  1
  Sm  Sm77  1  0.198808  0.611340  0.002180  1
  Sm  Sm78  1  0.192467  0.803562  0.002658  1
  Sm  Sm79  1  0.197285  0.006909  0.002806  1
  Sm  Sm80  1  0.396194  0.203842  0.002682  1
  Sm  Sm81  1  0.411629  0.414890  0.999321  1
  Sm  Sm82  1  0.412592  0.616097  0.997670  1
  Sm  Sm83  1  0.399790  0.804969  0.999118  1
  Sm  Sm84  1  0.390231  -0.001846  0.999441  1
  Sm  Sm85  1  0.591590  0.172320  0.003733  1
  Sm  Sm86  1  0.598658  0.376483  0.999906  1
  Sm  Sm87  1  0.612732  0.587661  0.999208  1
  Sm  Sm88  1  0.611642  0.787872  0.999102  1
  Sm  Sm89  1  0.598191  0.978371  0.001512  1
  Sm  Sm90  1  0.799880  0.174968  0.000796  1
  Sm  Sm91  1  0.795030  0.370020  0.000261  1
  Sm  Sm92  1  0.800805  0.575327  0.998976  1
  Sm  Sm93  1  0.810065  0.786670  0.000104  1
  Sm  Sm94  1  0.805777  0.983600  0.002911  1
  Sm  Sm95  1  0.012601  0.203011  0.994901  1
  Sm  Sm96  1  0.999094  0.391830  0.000246  1
  Sm  Sm97  1  0.993462  0.588135  0.002936  1
  Sm  Sm98  1  1.000009  0.796529  0.999446  1
  Sm  Sm99  1  0.010343  0.008217  0.989801  1
  Sm  Sm100  1  0.147397  0.090799  0.108161  1
  Sm  Sm101  1  0.133418  0.278471  0.111216  1
  Sm  Sm102  1  0.128305  0.470501  0.113729  1
  Sm  Sm103  1  0.138019  0.678156  0.114928  1
  Sm  Sm104  1  0.148381  0.887324  0.113744  1
  Sm  Sm105  1  0.347974  0.062868  0.112710  1
  Sm  Sm106  1  0.346566  0.264586  0.112761  1
  Sm  Sm107  1  0.335524  0.453085  0.111744  1
  Sm  Sm108  1  0.329390  0.645305  0.111089  1
  Sm  Sm109  1  0.336674  0.851527  0.111236  1
  Sm  Sm110  1  0.533270  0.039230  0.113732  1
  Sm  Sm111  1  0.545569  0.252162  0.112436  1
  Sm  Sm112  1  0.546469  0.452375  0.111497  1
  Sm  Sm113  1  0.537070  0.642104  0.110724  1
  Sm  Sm114  1  0.530094  0.835231  0.111481  1
  Sm  Sm115  1  0.726811  0.055505  0.114442  1
  Sm  Sm116  1  0.736373  0.262306  0.112990  1
  Sm  Sm117  1  0.746115  0.472636  0.111281  1
  Sm  Sm118  1  0.748415  0.675579  0.111392  1
  Sm  Sm119  1  0.734682  0.863163  0.113715  1
  Sm  Sm120  1  0.935600  0.080118  0.108919  1
  Sm  Sm121  1  0.927951  0.270477  0.110128  1
  Sm  Sm122  1  0.936316  0.477460  0.112265  1
  Sm  Sm123  1  0.945977  0.687633  0.111527  1
  Sm  Sm124  1  0.948590  0.892363  0.108996  1
  Sm  Sm125  1  0.202325  0.017304  0.220919  1
  Sm  Sm126  1  0.210805  0.221737  0.221220  1
  Sm  Sm127  1  0.204157  0.413673  0.222886  1
  Sm  Sm128  1  0.191086  0.602830  0.223197  1
  Sm  Sm129  1  0.191047  0.804489  0.222521  1
  Sm  Sm130  1  0.388637  0.986663  0.220640  1
  Sm  Sm131  1  0.404095  0.200011  0.220315  1
  Sm  Sm132  1  0.412401  0.408270  0.222636  1
  Sm  Sm133  1  0.403289  0.599759  0.222232  1
  Sm  Sm134  1  0.388843  0.786421  0.219968  1
  Sm  Sm135  1  0.590767  0.963430  0.222768  1
  Sm  Sm136  1  0.591833  0.166403  0.221362  1
  Sm  Sm137  1  0.602354  0.377058  0.220530  1
  Sm  Sm138  1  0.612485  0.585736  0.220517  1
  Sm  Sm139  1  0.604506  0.775873  0.221558  1
  Sm  Sm140  1  0.805643  0.985020  0.221357  1
  Sm  Sm141  1  0.791279  0.173050  0.221828  1
  Sm  Sm142  1  0.792486  0.376115  0.220793  1
  Sm  Sm143  1  0.802805  0.584969  0.219970  1
  Sm  Sm144  1  0.812474  0.793061  0.219749  1
  Sm  Sm145  1  0.012169  0.016831  0.218625  1
  Sm  Sm146  1  1.001760  0.206098  0.220654  1
  Sm  Sm147  1  0.989508  0.389973  0.220225  1
  Sm  Sm148  1  0.992418  0.593015  0.220554  1
  Sm  Sm149  1  1.002652  0.805579  0.219096  1
  Sm  Sm150  1  0.142078  0.073387  0.334616  1
  Sm  Sm151  1  0.125555  0.256015  0.332933  1
  Sm  Sm152  1  0.125314  0.455784  0.332764  1
  Sm  Sm153  1  0.139011  0.670060  0.335512  1
  Sm  Sm154  1  0.149600  0.879577  0.333316  1
  Sm  Sm155  1  0.348984  0.058151  0.331571  1
  Sm  Sm156  1  0.343880  0.251105  0.332079  1
  Sm  Sm157  1  0.327324  0.436869  0.337107  1
  Sm  Sm158  1  0.326170  0.637184  0.335560  1
  Sm  Sm159  1  0.339115  0.848275  0.332017  1
  Sm  Sm160  1  0.537925  0.050218  0.333929  1
  Sm  Sm161  1  0.549345  0.260457  0.332679  1
  Sm  Sm162  1  0.544509  0.453714  0.332330  1
  Sm  Sm163  1  0.528416  0.638285  0.335214  1
  Sm  Sm164  1  0.526048  0.838088  0.334685  1
  Sm  Sm165  1  0.726802  0.060186  0.333667  1
  Sm  Sm166  1  0.739205  0.272040  0.332181  1
  Sm  Sm167  1  0.749978  0.483489  0.332402  1
  Sm  Sm168  1  0.743172  0.678746  0.331728  1
  Sm  Sm169  1  0.725729  0.861204  0.332559  1
  Sm  Sm170  1  0.927184  0.071039  0.334007  1
  Sm  Sm171  1  0.926838  0.269669  0.333647  1
  Sm  Sm172  1  0.939751  0.480620  0.331468  1
  Sm  Sm173  1  0.949407  0.689802  0.330349  1
  Sm  Sm174  1  0.943160  0.885405  0.329621  1
  Sm  Sm175  1  0.060415  0.104377  0.448183  1
  Sm  Sm176  1  0.076207  0.316600  0.445509  1
  Sm  Sm177  1  0.086712  0.527324  0.445003  1
  Sm  Sm178  1  0.083637  0.727977  0.446981  1
  Sm  Sm179  1  0.065946  0.911640  0.445164  1
  Sm  Sm180  1  0.264391  0.106635  0.446217  1
  Sm  Sm181  1  0.259581  0.302663  0.446325  1
  Sm  Sm182  1  0.274568  0.517635  0.446904  1
  Sm  Sm183  1  0.286219  0.728519  0.445378  1
  Sm  Sm184  1  0.282865  0.923832  0.443727  1
  Sm  Sm185  1  0.479273  0.146518  0.444327  1
  Sm  Sm186  1  0.463752  0.331336  0.444412  1
  Sm  Sm187  1  0.461815  0.525471  0.447382  1
  Sm  Sm188  1  0.475101  0.736620  0.446693  1
  Sm  Sm189  1  0.483017  0.946177  0.445600  1
  Sm  Sm190  1  0.683799  0.159033  0.444593  1
  Sm  Sm191  1  0.681756  0.358643  0.443603  1
  Sm  Sm192  1  0.665030  0.542718  0.444509  1
  Sm  Sm193  1  0.663286  0.738460  0.446201  1
  Sm  Sm194  1  0.674626  0.949206  0.445567  1
  Sm  Sm195  1  0.875250  0.138153  0.445372  1
  Sm  Sm196  1  0.887921  0.348563  0.444550  1
  Sm  Sm197  1  0.887614  0.545299  0.444955  1
  Sm  Sm198  1  0.865547  0.725465  0.443878  1
  Sm  Sm199  1  0.859357  0.922345  0.442267  1
  Sm  Sm200  1  0.128915  0.052864  0.564100  1
  Sm  Sm201  1  0.117955  0.233537  0.558988  1
  Sm  Sm202  1  0.125831  0.441037  0.554488  1
  Sm  Sm203  1  0.138482  0.655041  0.552799  1
  Sm  Sm204  1  0.146225  0.869287  0.556937  1
  Sm  Sm205  1  0.346773  0.053593  0.554481  1
  Sm  Sm206  1  0.337576  0.241323  0.553182  1
  Sm  Sm207  1  0.322491  0.429116  0.555433  1
  Sm  Sm208  1  0.327131  0.636567  0.555049  1
  Sm  Sm209  1  0.335124  0.847242  0.555178  1
  Sm  Sm210  1  0.540534  0.061905  0.552043  1
  Sm  Sm211  1  0.549633  0.267489  0.552486  1
  Sm  Sm212  1  0.537004  0.453173  0.554232  1
  Sm  Sm213  1  0.522515  0.643130  0.555234  1
  Sm  Sm214  1  0.526085  0.849882  0.554329  1
  Sm  Sm215  1  0.726527  0.067643  0.553899  1
  Sm  Sm216  1  0.744136  0.284862  0.552447  1
  Sm  Sm217  1  0.748262  0.490055  0.553289  1
  Sm  Sm218  1  0.731810  0.676083  0.556039  1
  Sm  Sm219  1  0.720924  0.863856  0.555845  1
  Sm  Sm220  1  0.920669  0.058172  0.555732  1
  Sm  Sm221  1  0.925769  0.264728  0.554357  1
  Sm  Sm222  1  0.940803  0.478563  0.555099  1
  Sm  Sm223  1  0.946527  0.683659  0.555783  1
  Sm  Sm224  1  0.931383  0.867980  0.552508  1
