# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   36.13543579
_cell_length_b   20.81416307
_cell_length_c   46.93813355
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   91.50347872
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm432
_cell_volume   35291.3707438
_cell_formula_units_Z   432
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  0.427460  0.648363  0.332754  1
  Sm  Sm2  1  0.762046  0.638229  0.357990  1
  Sm  Sm3  1  0.760867  0.496700  0.309345  1
  Sm  Sm4  1  0.760793  0.315030  0.332754  1
  Sm  Sm5  1  0.094201  0.663366  0.309345  1
  Sm  Sm6  1  0.094126  0.481697  0.332754  1
  Sm  Sm7  1  0.428713  0.471562  0.357990  1
  Sm  Sm8  1  0.427534  0.330033  0.309345  1
  Sm  Sm9  1  0.427460  0.148363  0.332754  1
  Sm  Sm10  1  0.762046  0.138229  0.357990  1
  Sm  Sm11  1  0.760867  -0.003300  0.309345  1
  Sm  Sm12  1  0.760793  0.815030  0.332754  1
  Sm  Sm13  1  0.095380  0.304895  0.357990  1
  Sm  Sm14  1  0.094201  0.163366  0.309345  1
  Sm  Sm15  1  0.094126  0.981697  0.332754  1
  Sm  Sm16  1  0.428713  0.971562  0.357990  1
  Sm  Sm17  1  0.427534  0.830033  0.309345  1
  Sm  Sm18  1  0.095380  0.804895  0.357990  1
  Sm  Sm19  1  0.595984  0.646446  0.308023  1
  Sm  Sm20  1  0.923786  0.640872  0.332898  1
  Sm  Sm21  1  0.929585  0.467479  0.357137  1
  Sm  Sm22  1  0.929318  0.313113  0.308023  1
  Sm  Sm23  1  0.262918  0.634146  0.357137  1
  Sm  Sm24  1  0.262651  0.479780  0.308023  1
  Sm  Sm25  1  0.590453  0.474205  0.332898  1
  Sm  Sm26  1  0.596251  0.300812  0.357137  1
  Sm  Sm27  1  0.595984  0.146446  0.308023  1
  Sm  Sm28  1  0.923786  0.140872  0.332898  1
  Sm  Sm29  1  0.929585  0.967479  0.357137  1
  Sm  Sm30  1  0.929318  0.813113  0.308023  1
  Sm  Sm31  1  0.257119  0.307539  0.332898  1
  Sm  Sm32  1  0.262918  0.134146  0.357137  1
  Sm  Sm33  1  0.262651  0.979780  0.308023  1
  Sm  Sm34  1  0.590453  0.974205  0.332898  1
  Sm  Sm35  1  0.596251  0.800812  0.357137  1
  Sm  Sm36  1  0.257119  0.807539  0.332898  1
  Sm  Sm37  1  0.677194  0.723375  0.337718  1
  Sm  Sm38  1  0.011723  0.713730  0.358495  1
  Sm  Sm39  1  0.006536  0.564542  0.313488  1
  Sm  Sm40  1  0.010527  0.390042  0.337718  1
  Sm  Sm41  1  0.339869  0.731209  0.313488  1
  Sm  Sm42  1  0.343861  0.556709  0.337718  1
  Sm  Sm43  1  0.678390  0.547064  0.358495  1
  Sm  Sm44  1  0.673202  0.397875  0.313488  1
  Sm  Sm45  1  0.677194  0.223375  0.337718  1
  Sm  Sm46  1  0.011723  0.213730  0.358495  1
  Sm  Sm47  1  0.006536  0.064542  0.313488  1
  Sm  Sm48  1  0.010527  0.890042  0.337718  1
  Sm  Sm49  1  0.345057  0.380397  0.358495  1
  Sm  Sm50  1  0.339869  0.231209  0.313488  1
  Sm  Sm51  1  0.343861  0.056709  0.337718  1
  Sm  Sm52  1  0.678390  0.047064  0.358495  1
  Sm  Sm53  1  0.673202  0.897875  0.313488  1
  Sm  Sm54  1  0.345057  0.880397  0.358495  1
  Sm  Sm55  1  0.512549  0.563295  0.348702  1
  Sm  Sm56  1  0.847654  0.551273  0.371464  1
  Sm  Sm57  1  0.844583  0.404437  0.324545  1
  Sm  Sm58  1  0.845883  0.229962  0.348702  1
  Sm  Sm59  1  0.177917  0.571103  0.324545  1
  Sm  Sm60  1  0.179216  0.396629  0.348702  1
  Sm  Sm61  1  0.514320  0.384607  0.371464  1
  Sm  Sm62  1  0.511250  0.237770  0.324545  1
  Sm  Sm63  1  0.512549  0.063295  0.348702  1
  Sm  Sm64  1  0.847654  0.051273  0.371464  1
  Sm  Sm65  1  0.844583  0.904437  0.324545  1
  Sm  Sm66  1  0.845883  0.729962  0.348702  1
  Sm  Sm67  1  0.180987  0.217940  0.371464  1
  Sm  Sm68  1  0.177917  0.071103  0.324545  1
  Sm  Sm69  1  0.179216  0.896629  0.348702  1
  Sm  Sm70  1  0.514320  0.884607  0.371464  1
  Sm  Sm71  1  0.511250  0.737770  0.324545  1
  Sm  Sm72  1  0.180987  0.717940  0.371464  1
  Sm  Sm73  1  0.438271  0.617468  0.405361  1
  Sm  Sm74  1  0.779621  0.608927  0.429237  1
  Sm  Sm75  1  0.764931  0.459315  0.381471  1
  Sm  Sm76  1  0.771604  0.284134  0.405361  1
  Sm  Sm77  1  0.098264  0.625982  0.381471  1
  Sm  Sm78  1  0.104938  0.450801  0.405361  1
  Sm  Sm79  1  0.446288  0.442260  0.429237  1
  Sm  Sm80  1  0.431597  0.292648  0.381471  1
  Sm  Sm81  1  0.438271  0.117468  0.405361  1
  Sm  Sm82  1  0.779621  0.108927  0.429237  1
  Sm  Sm83  1  0.764931  0.959315  0.381471  1
  Sm  Sm84  1  0.771604  0.784134  0.405361  1
  Sm  Sm85  1  0.112955  0.275593  0.429237  1
  Sm  Sm86  1  0.098264  0.125982  0.381471  1
  Sm  Sm87  1  0.104938  0.950801  0.405361  1
  Sm  Sm88  1  0.446288  0.942260  0.429237  1
  Sm  Sm89  1  0.431597  0.792648  0.381471  1
  Sm  Sm90  1  0.112955  0.775593  0.429237  1
  Sm  Sm91  1  0.599356  0.627831  0.382217  1
  Sm  Sm92  1  0.938955  0.618028  0.404666  1
  Sm  Sm93  1  0.946305  0.442291  0.428700  1
  Sm  Sm94  1  0.932690  0.294498  0.382217  1
  Sm  Sm95  1  0.279638  0.608958  0.428700  1
  Sm  Sm96  1  0.266023  0.461165  0.382217  1
  Sm  Sm97  1  0.605621  0.451362  0.404666  1
  Sm  Sm98  1  0.612971  0.275624  0.428700  1
  Sm  Sm99  1  0.599356  0.127831  0.382217  1
  Sm  Sm100  1  0.938955  0.118028  0.404666  1
  Sm  Sm101  1  0.946305  0.942291  0.428700  1
  Sm  Sm102  1  0.932690  0.794498  0.382217  1
  Sm  Sm103  1  0.272288  0.284695  0.404666  1
  Sm  Sm104  1  0.279638  0.108958  0.428700  1
  Sm  Sm105  1  0.266023  0.961165  0.382217  1
  Sm  Sm106  1  0.605621  0.951362  0.404666  1
  Sm  Sm107  1  0.612971  0.775624  0.428700  1
  Sm  Sm108  1  0.272288  0.784695  0.404666  1
  Sm  Sm109  1  0.690958  0.695413  0.409631  1
  Sm  Sm110  1  0.030442  0.688489  0.432482  1
  Sm  Sm111  1  0.017807  0.538018  0.385772  1
  Sm  Sm112  1  0.024292  0.362080  0.409631  1
  Sm  Sm113  1  0.351140  0.704685  0.385772  1
  Sm  Sm114  1  0.357625  0.528747  0.409631  1
  Sm  Sm115  1  0.697108  0.521822  0.432482  1
  Sm  Sm116  1  0.684474  0.371352  0.385772  1
  Sm  Sm117  1  0.690958  0.195413  0.409631  1
  Sm  Sm118  1  0.030442  0.188489  0.432482  1
  Sm  Sm119  1  0.017807  0.038018  0.385772  1
  Sm  Sm120  1  0.024292  0.862080  0.409631  1
  Sm  Sm121  1  0.363775  0.355155  0.432482  1
  Sm  Sm122  1  0.351140  0.204685  0.385772  1
  Sm  Sm123  1  0.357625  0.028747  0.409631  1
  Sm  Sm124  1  0.697108  0.021822  0.432482  1
  Sm  Sm125  1  0.684474  0.871352  0.385772  1
  Sm  Sm126  1  0.363775  0.855155  0.432482  1
  Sm  Sm127  1  0.527234  0.531406  0.421202  1
  Sm  Sm128  1  0.867200  0.522585  0.445118  1
  Sm  Sm129  1  0.853761  0.375008  0.397983  1
  Sm  Sm130  1  0.860567  0.198073  0.421202  1
  Sm  Sm131  1  0.187095  0.541674  0.397983  1
  Sm  Sm132  1  0.193901  0.364739  0.421202  1
  Sm  Sm133  1  0.533867  0.355918  0.445118  1
  Sm  Sm134  1  0.520428  0.208341  0.397983  1
  Sm  Sm135  1  0.527234  0.031406  0.421202  1
  Sm  Sm136  1  0.867200  0.022585  0.445118  1
  Sm  Sm137  1  0.853761  0.875008  0.397983  1
  Sm  Sm138  1  0.860567  0.698073  0.421202  1
  Sm  Sm139  1  0.200534  0.189251  0.445118  1
  Sm  Sm140  1  0.187095  0.041674  0.397983  1
  Sm  Sm141  1  0.193901  0.864739  0.421202  1
  Sm  Sm142  1  0.533867  0.855918  0.445118  1
  Sm  Sm143  1  0.520428  0.708341  0.397983  1
  Sm  Sm144  1  0.200534  0.689251  0.445118  1
  Sm  Sm145  1  0.458744  0.592142  0.475902  1
  Sm  Sm146  1  0.797845  0.583071  0.499670  1
  Sm  Sm147  1  0.785473  0.434191  0.452192  1
  Sm  Sm148  1  0.792077  0.258809  0.475902  1
  Sm  Sm149  1  0.118807  0.600858  0.452192  1
  Sm  Sm150  1  0.125410  0.425475  0.475902  1
  Sm  Sm151  1  0.464511  0.416404  0.499670  1
  Sm  Sm152  1  0.452140  0.267525  0.452192  1
  Sm  Sm153  1  0.458744  0.092142  0.475902  1
  Sm  Sm154  1  0.797845  0.083071  0.499670  1
  Sm  Sm155  1  0.785473  0.934191  0.452192  1
  Sm  Sm156  1  0.792077  0.758809  0.475902  1
  Sm  Sm157  1  0.131178  0.249738  0.499670  1
  Sm  Sm158  1  0.118807  0.100858  0.452192  1
  Sm  Sm159  1  0.125410  0.925475  0.475902  1
  Sm  Sm160  1  0.464511  0.916404  0.499670  1
  Sm  Sm161  1  0.452140  0.767525  0.452192  1
  Sm  Sm162  1  0.131178  0.749738  0.499670  1
  Sm  Sm163  1  0.618911  0.600008  0.452467  1
  Sm  Sm164  1  0.958488  0.591648  0.475325  1
  Sm  Sm165  1  0.964266  0.416169  0.499543  1
  Sm  Sm166  1  0.952244  0.266675  0.452467  1
  Sm  Sm167  1  0.297599  0.582835  0.499543  1
  Sm  Sm168  1  0.285577  0.433341  0.452467  1
  Sm  Sm169  1  0.625155  0.424982  0.475325  1
  Sm  Sm170  1  0.630933  0.249502  0.499543  1
  Sm  Sm171  1  0.618911  0.100008  0.452467  1
  Sm  Sm172  1  0.958488  0.091648  0.475325  1
  Sm  Sm173  1  0.964266  0.916169  0.499543  1
  Sm  Sm174  1  0.952244  0.766675  0.452467  1
  Sm  Sm175  1  0.291821  0.258315  0.475325  1
  Sm  Sm176  1  0.297599  0.082835  0.499543  1
  Sm  Sm177  1  0.285577  0.933341  0.452467  1
  Sm  Sm178  1  0.625155  0.924982  0.475325  1
  Sm  Sm179  1  0.630933  0.749502  0.499543  1
  Sm  Sm180  1  0.291821  0.758315  0.475325  1
  Sm  Sm181  1  0.709670  0.670473  0.481125  1
  Sm  Sm182  1  0.048976  0.661732  0.504875  1
  Sm  Sm183  1  0.036953  0.512796  0.457225  1
  Sm  Sm184  1  0.043004  0.337139  0.481125  1
  Sm  Sm185  1  0.370286  0.679462  0.457225  1
  Sm  Sm186  1  0.376337  0.503806  0.481125  1
  Sm  Sm187  1  0.715642  0.495066  0.504875  1
  Sm  Sm188  1  0.703620  0.346129  0.457225  1
  Sm  Sm189  1  0.709670  0.170473  0.481125  1
  Sm  Sm190  1  0.048976  0.161732  0.504875  1
  Sm  Sm191  1  0.036953  0.012796  0.457225  1
  Sm  Sm192  1  0.043004  0.837139  0.481125  1
  Sm  Sm193  1  0.382309  0.328399  0.504875  1
  Sm  Sm194  1  0.370286  0.179462  0.457225  1
  Sm  Sm195  1  0.376337  0.003806  0.481125  1
  Sm  Sm196  1  0.715642  -0.004934  0.504875  1
  Sm  Sm197  1  0.703620  0.846129  0.457225  1
  Sm  Sm198  1  0.382309  0.828399  0.504875  1
  Sm  Sm199  1  0.546029  0.504263  0.493268  1
  Sm  Sm200  1  0.885341  0.495663  0.517163  1
  Sm  Sm201  1  0.873487  0.346832  0.469330  1
  Sm  Sm202  1  0.879363  0.170929  0.493268  1
  Sm  Sm203  1  0.206821  0.513499  0.469330  1
  Sm  Sm204  1  0.212696  0.337596  0.493268  1
  Sm  Sm205  1  0.552008  0.328996  0.517163  1
  Sm  Sm206  1  0.540154  0.180165  0.469330  1
  Sm  Sm207  1  0.546029  0.004263  0.493268  1
  Sm  Sm208  1  0.885341  -0.004337  0.517163  1
  Sm  Sm209  1  0.873487  0.846832  0.469330  1
  Sm  Sm210  1  0.879363  0.670929  0.493268  1
  Sm  Sm211  1  0.218675  0.162330  0.517163  1
  Sm  Sm212  1  0.206821  0.013499  0.469330  1
  Sm  Sm213  1  0.212696  0.837596  0.493268  1
  Sm  Sm214  1  0.552008  0.828996  0.517163  1
  Sm  Sm215  1  0.540154  0.680165  0.469330  1
  Sm  Sm216  1  0.218675  0.662330  0.517163  1
  Sm  Sm217  1  0.475979  0.565242  0.547271  1
  Sm  Sm218  1  0.814885  0.556182  0.570803  1
  Sm  Sm219  1  0.803521  0.407367  0.523314  1
  Sm  Sm220  1  0.809313  0.231909  0.547271  1
  Sm  Sm221  1  0.136854  0.574033  0.523314  1
  Sm  Sm222  1  0.142646  0.398575  0.547271  1
  Sm  Sm223  1  0.481552  0.389516  0.570803  1
  Sm  Sm224  1  0.470188  0.240700  0.523314  1
  Sm  Sm225  1  0.475979  0.065242  0.547271  1
  Sm  Sm226  1  0.814885  0.056182  0.570803  1
  Sm  Sm227  1  0.803521  0.907367  0.523314  1
  Sm  Sm228  1  0.809313  0.731909  0.547271  1
  Sm  Sm229  1  0.148218  0.222849  0.570803  1
  Sm  Sm230  1  0.136854  0.074033  0.523314  1
  Sm  Sm231  1  0.142646  0.898575  0.547271  1
  Sm  Sm232  1  0.481552  0.889516  0.570803  1
  Sm  Sm233  1  0.470188  0.740700  0.523314  1
  Sm  Sm234  1  0.148218  0.722849  0.570803  1
  Sm  Sm235  1  0.636713  0.573831  0.523336  1
  Sm  Sm236  1  0.976009  0.565671  0.546765  1
  Sm  Sm237  1  0.981659  0.389565  0.570800  1
  Sm  Sm238  1  0.970046  0.240498  0.523336  1
  Sm  Sm239  1  0.314992  0.556231  0.570800  1
  Sm  Sm240  1  0.303380  0.407164  0.523336  1
  Sm  Sm241  1  0.642675  0.399005  0.546765  1
  Sm  Sm242  1  0.648326  0.222898  0.570800  1
  Sm  Sm243  1  0.636713  0.073831  0.523336  1
  Sm  Sm244  1  0.976009  0.065671  0.546765  1
  Sm  Sm245  1  0.981659  0.889565  0.570800  1
  Sm  Sm246  1  0.970046  0.740498  0.523336  1
  Sm  Sm247  1  0.309342  0.232338  0.546765  1
  Sm  Sm248  1  0.314992  0.056231  0.570800  1
  Sm  Sm249  1  0.303380  0.907164  0.523336  1
  Sm  Sm250  1  0.642675  0.899005  0.546765  1
  Sm  Sm251  1  0.648326  0.722898  0.570800  1
  Sm  Sm252  1  0.309342  0.732338  0.546765  1
  Sm  Sm253  1  0.727236  0.643428  0.552905  1
  Sm  Sm254  1  0.066789  0.634779  0.576646  1
  Sm  Sm255  1  0.054860  0.485988  0.528924  1
  Sm  Sm256  1  0.060570  0.310094  0.552905  1
  Sm  Sm257  1  0.388193  0.652655  0.528924  1
  Sm  Sm258  1  0.393903  0.476761  0.552905  1
  Sm  Sm259  1  0.733456  0.468113  0.576646  1
  Sm  Sm260  1  0.721527  0.319322  0.528924  1
  Sm  Sm261  1  0.727236  0.143428  0.552905  1
  Sm  Sm262  1  0.066789  0.134779  0.576646  1
  Sm  Sm263  1  0.054860  -0.014012  0.528924  1
  Sm  Sm264  1  0.060570  0.810094  0.552905  1
  Sm  Sm265  1  0.400123  0.301446  0.576646  1
  Sm  Sm266  1  0.388193  0.152655  0.528924  1
  Sm  Sm267  1  0.393903  0.976761  0.552905  1
  Sm  Sm268  1  0.733456  0.968113  0.576646  1
  Sm  Sm269  1  0.721527  0.819322  0.528924  1
  Sm  Sm270  1  0.400123  0.801446  0.576646  1
  Sm  Sm271  1  0.563777  0.477810  0.565319  1
  Sm  Sm272  1  0.903358  0.469533  0.588441  1
  Sm  Sm273  1  0.891156  0.319847  0.541232  1
  Sm  Sm274  1  0.897110  0.144477  0.565319  1
  Sm  Sm275  1  0.224489  0.486514  0.541232  1
  Sm  Sm276  1  0.230444  0.311143  0.565319  1
  Sm  Sm277  1  0.570025  0.302866  0.588441  1
  Sm  Sm278  1  0.557822  0.153181  0.541232  1
  Sm  Sm279  1  0.563777  0.977810  0.565319  1
  Sm  Sm280  1  0.903358  0.969533  0.588441  1
  Sm  Sm281  1  0.891156  0.819847  0.541232  1
  Sm  Sm282  1  0.897110  0.644477  0.565319  1
  Sm  Sm283  1  0.236691  0.136199  0.588441  1
  Sm  Sm284  1  0.224489  -0.013486  0.541232  1
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