# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   24.39478078
_cell_length_b   16.45689606
_cell_length_c   49.25168077
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.44980374
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm252
_cell_volume   19552.9426155
_cell_formula_units_Z   252
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  0.752109  0.215955  0.291698  1
  Sm  Sm2  1  0.241465  0.176452  0.319249  1
  Sm  Sm3  1  0.397015  0.147057  0.330211  1
  Sm  Sm4  1  0.583690  0.869880  0.299036  1
  Sm  Sm5  1  0.596408  0.247320  0.277179  1
  Sm  Sm6  1  0.739968  0.841159  0.311499  1
  Sm  Sm7  1  0.903411  0.166876  0.322073  1
  Sm  Sm8  1  0.078564  0.843862  0.310118  1
  Sm  Sm9  1  0.091746  0.219182  0.291787  1
  Sm  Sm10  1  0.224136  0.802904  0.340205  1
  Sm  Sm11  1  0.411146  0.523391  0.309501  1
  Sm  Sm12  1  0.424669  0.898641  0.287645  1
  Sm  Sm13  1  0.567764  0.494459  0.319218  1
  Sm  Sm14  1  0.771649  0.585446  0.270171  1
  Sm  Sm15  1  0.925790  0.534179  0.296254  1
  Sm  Sm16  1  0.935737  0.904945  0.277033  1
  Sm  Sm17  1  0.100281  0.586943  0.271794  1
  Sm  Sm18  1  0.250969  0.553163  0.296562  1
  Sm  Sm19  1  0.682335  0.420830  0.271680  1
  Sm  Sm20  1  0.171000  0.380709  0.297307  1
  Sm  Sm21  1  0.325890  0.350585  0.314232  1
  Sm  Sm22  1  0.511058  0.072222  0.283081  1
  Sm  Sm23  1  0.482696  0.320298  0.325231  1
  Sm  Sm24  1  0.668767  0.044552  0.293279  1
  Sm  Sm25  1  0.840697  0.371625  0.291340  1
  Sm  Sm26  1  0.013041  0.061448  0.284963  1
  Sm  Sm27  1  0.981957  0.323911  0.327549  1
  Sm  Sm28  1  0.155986  0.010732  0.319637  1
  Sm  Sm29  1  0.337380  0.725719  0.292364  1
  Sm  Sm30  1  0.310718  0.973234  0.334990  1
  Sm  Sm31  1  0.497170  0.696497  0.304688  1
  Sm  Sm32  1  0.653879  0.668071  0.313583  1
  Sm  Sm33  1  0.855506  0.747614  0.271758  1
  Sm  Sm34  1  0.870563  0.119509  0.252381  1
  Sm  Sm35  1  0.992729  0.696675  0.308936  1
  Sm  Sm36  1  0.140080  0.638657  0.342009  1
  Sm  Sm37  1  0.715281  0.115162  0.356855  1
  Sm  Sm38  1  0.196191  0.074507  0.385337  1
  Sm  Sm39  1  0.353595  0.056029  0.396384  1
  Sm  Sm40  1  0.542576  0.769805  0.365454  1
  Sm  Sm41  1  0.558996  0.133300  0.344851  1
  Sm  Sm42  1  0.699064  0.748743  0.377540  1
  Sm  Sm43  1  0.862002  0.069113  0.386521  1
  Sm  Sm44  1  0.031467  0.750737  0.379277  1
  Sm  Sm45  1  0.044786  0.116895  0.357343  1
  Sm  Sm46  1  0.182035  0.708574  0.407471  1
  Sm  Sm47  1  0.369685  0.421834  0.375837  1
  Sm  Sm48  1  0.385470  0.785323  0.354669  1
  Sm  Sm49  1  0.526521  0.403905  0.386461  1
  Sm  Sm50  1  0.728806  0.478976  0.335982  1
  Sm  Sm51  1  0.876969  0.436504  0.364162  1
  Sm  Sm52  1  0.887903  0.805141  0.343797  1
  Sm  Sm53  1  0.059775  0.480215  0.335405  1
  Sm  Sm54  1  0.212453  0.439057  0.363511  1
  Sm  Sm55  1  0.643279  0.308485  0.339752  1
  Sm  Sm56  1  0.126646  0.273941  0.362721  1
  Sm  Sm57  1  0.283246  0.248248  0.380860  1
  Sm  Sm58  1  0.472227  0.958861  0.349825  1
  Sm  Sm59  1  0.440439  0.229425  0.391823  1
  Sm  Sm60  1  0.628270  0.944599  0.359761  1
  Sm  Sm61  1  0.797735  0.279633  0.359460  1
  Sm  Sm62  1  0.970139  0.956715  0.349783  1
  Sm  Sm63  1  0.939048  0.226895  0.394432  1
  Sm  Sm64  1  0.111493  0.908204  0.384386  1
  Sm  Sm65  1  0.298742  0.611726  0.359258  1
  Sm  Sm66  1  0.268042  0.881744  0.401989  1
  Sm  Sm67  1  0.455943  0.595547  0.370858  1
  Sm  Sm68  1  0.612082  0.578240  0.380613  1
  Sm  Sm69  1  0.814017  0.642499  0.337107  1
  Sm  Sm70  1  0.824338  0.006834  0.313967  1
  Sm  Sm71  1  0.953563  0.592776  0.372233  1
  Sm  Sm72  1  0.097085  0.541670  0.406629  1
  Sm  Sm73  1  0.669589  0.018542  0.422140  1
  Sm  Sm74  1  0.152962  0.975186  0.451145  1
  Sm  Sm75  1  0.310377  0.957779  0.462790  1
  Sm  Sm76  1  0.497845  0.672319  0.430973  1
  Sm  Sm77  1  0.512310  0.038497  0.409589  1
  Sm  Sm78  1  0.655459  0.652267  0.443816  1
  Sm  Sm79  1  0.817551  0.972624  0.452913  1
  Sm  Sm80  1  0.987602  0.651680  0.444765  1
  Sm  Sm81  1  0.002543  0.017432  0.422975  1
  Sm  Sm82  1  0.138006  0.609379  0.473105  1
  Sm  Sm83  1  0.324897  0.323841  0.441103  1
  Sm  Sm84  1  0.339608  0.690175  0.419561  1
  Sm  Sm85  1  0.482937  0.306333  0.452776  1
  Sm  Sm86  1  0.684367  0.384540  0.401212  1
  Sm  Sm87  1  0.832904  0.338969  0.430951  1
  Sm  Sm88  1  0.846691  0.704400  0.409109  1
  Sm  Sm89  1  0.016326  0.383152  0.401155  1
  Sm  Sm90  1  0.167427  0.341583  0.429156  1
  Sm  Sm91  1  0.598083  0.213428  0.404262  1
  Sm  Sm92  1  0.082647  0.175861  0.428747  1
  Sm  Sm93  1  0.239338  0.148723  0.446439  1
  Sm  Sm94  1  0.426127  0.864305  0.414772  1
  Sm  Sm95  1  0.396861  0.131674  0.457944  1
  Sm  Sm96  1  0.583788  0.847048  0.425322  1
  Sm  Sm97  1  0.753513  0.181511  0.424585  1
  Sm  Sm98  1  0.924565  0.861260  0.416210  1
  Sm  Sm99  1  0.895276  0.128586  0.459844  1
  Sm  Sm100  1  0.067986  0.809906  0.450894  1
  Sm  Sm101  1  0.253520  0.515370  0.424613  1
  Sm  Sm102  1  0.224664  0.782919  0.468513  1
  Sm  Sm103  1  0.411431  0.497961  0.436308  1
  Sm  Sm104  1  0.568815  0.481258  0.447278  1
  Sm  Sm105  1  0.768624  0.546544  0.402773  1
  Sm  Sm106  1  0.781737  0.912199  0.380978  1
  Sm  Sm107  1  0.909920  0.494822  0.438149  1
  Sm  Sm108  1  0.053575  0.443720  0.472414  1
  Sm  Sm109  1  0.626436  0.920523  0.487929  1
  Sm  Sm110  1  0.108712  0.877482  0.517274  1
  Sm  Sm111  1  0.266370  0.859946  0.528631  1
  Sm  Sm112  1  0.454062  0.574430  0.496974  1
  Sm  Sm113  1  0.469013  0.940070  0.475347  1
  Sm  Sm114  1  0.611702  0.554959  0.509900  1
  Sm  Sm115  1  0.774317  0.874318  0.518613  1
  Sm  Sm116  1  0.944271  0.553686  0.510699  1
  Sm  Sm117  1  0.958420  0.919756  0.488885  1
  Sm  Sm118  1  0.094529  0.511250  0.538882  1
  Sm  Sm119  1  0.281351  0.225751  0.506986  1
  Sm  Sm120  1  0.295661  0.591833  0.485227  1
  Sm  Sm121  1  0.439728  0.208500  0.518883  1
  Sm  Sm122  1  0.640560  0.286633  0.466504  1
  Sm  Sm123  1  0.788673  0.240528  0.496827  1
  Sm  Sm124  1  0.803224  0.606532  0.475015  1
  Sm  Sm125  1  0.973044  0.285304  0.467030  1
  Sm  Sm126  1  0.123927  0.243214  0.495120  1
  Sm  Sm127  1  0.554379  0.115270  0.469827  1
  Sm  Sm128  1  0.038816  0.077631  0.494593  1
  Sm  Sm129  1  0.195408  0.050844  0.512547  1
  Sm  Sm130  1  0.382483  0.765903  0.480411  1
  Sm  Sm131  1  0.353215  0.033931  0.523747  1
  Sm  Sm132  1  0.540078  0.749080  0.491291  1
  Sm  Sm133  1  0.709724  0.083644  0.490439  1
  Sm  Sm134  1  0.880967  0.762828  0.481920  1
  Sm  Sm135  1  0.851566  0.031234  0.525863  1
  Sm  Sm136  1  0.024349  0.711822  0.516628  1
  Sm  Sm137  1  0.210009  0.416778  0.490709  1
  Sm  Sm138  1  0.180656  0.684931  0.534271  1
  Sm  Sm139  1  0.367617  0.400042  0.502079  1
  Sm  Sm140  1  0.525028  0.383444  0.513235  1
  Sm  Sm141  1  0.724590  0.449286  0.468677  1
  Sm  Sm142  1  0.738733  0.815171  0.446479  1
  Sm  Sm143  1  0.865921  0.396949  0.504066  1
  Sm  Sm144  1  0.010024  0.345697  0.537847  1
  Sm  Sm145  1  0.582431  0.822745  0.553755  1
  Sm  Sm146  1  0.065078  0.779382  0.583414  1
  Sm  Sm147  1  0.222968  0.761307  0.594479  1
  Sm  Sm148  1  0.410369  0.476422  0.562751  1
  Sm  Sm149  1  0.424973  0.842299  0.541023  1
  Sm  Sm150  1  0.568424  0.456811  0.575556  1
  Sm  Sm151  1  0.730283  0.776913  0.584900  1
  Sm  Sm152  1  0.900695  0.455191  0.575990  1
  Sm  Sm153  1  0.915478  0.821546  0.554554  1
  Sm  Sm154  1  0.050670  0.412206  0.604214  1
  Sm  Sm155  1  0.237600  0.127780  0.572951  1
  Sm  Sm156  1  0.252027  0.494096  0.551291  1
  Sm  Sm157  1  0.395731  0.110685  0.584402  1
  Sm  Sm158  1  0.597376  0.189197  0.532305  1
  Sm  Sm159  1  0.744892  0.142920  0.563098  1
  Sm  Sm160  1  0.759115  0.508343  0.541101  1
  Sm  Sm161  1  0.929129  0.187622  0.532754  1
  Sm  Sm162  1  0.080260  0.145299  0.561212  1
  Sm  Sm163  1  0.510859  0.017290  0.535534  1
  Sm  Sm164  1  0.995002  0.979846  0.560699  1
  Sm  Sm165  1  0.151596  0.952605  0.578634  1
  Sm  Sm166  1  0.338701  0.668175  0.546307  1
  Sm  Sm167  1  0.309294  0.935808  0.589241  1
  Sm  Sm168  1  0.496084  0.651624  0.557359  1
  Sm  Sm169  1  0.666430  0.985072  0.556014  1
  Sm  Sm170  1  0.837353  0.665114  0.547915  1
  Sm  Sm171  1  0.809039  0.932407  0.590882  1
  Sm  Sm172  1  0.981010  0.613876  0.582485  1
  Sm  Sm173  1  0.166436  0.318544  0.556781  1
  Sm  Sm174  1  0.136485  0.586599  0.600178  1
  Sm  Sm175  1  0.324027  0.302225  0.567861  1
  Sm  Sm176  1  0.482180  0.285418  0.579592  1
  Sm  Sm177  1  0.680727  0.351606  0.534326  1
  Sm  Sm178  1  0.695388  0.717439  0.512385  1
  Sm  Sm179  1  0.821683  0.298981  0.570131  1
  Sm  Sm180  1  0.966976  0.247430  0.603355  1
  Sm  Sm181  1  0.539527  0.724864  0.619722  1
  Sm  Sm182  1  0.017905  0.682970  0.649523  1
  Sm  Sm183  1  0.176377  0.666143  0.659253  1
  Sm  Sm184  1  0.366095  0.377901  0.628002  1
  Sm  Sm185  1  0.381856  0.744724  0.607573  1
  Sm  Sm186  1  0.524358  0.361693  0.642476  1
  Sm  Sm187  1  0.688465  0.678777  0.650902  1
  Sm  Sm188  1  0.859523  0.357431  0.641809  1
  Sm  Sm189  1  0.871794  0.724508  0.620525  1
  Sm  Sm190  1  0.007240  0.316236  0.669377  1
  Sm  Sm191  1  0.193511  0.029499  0.638472  1
  Sm  Sm192  1  0.208541  0.396271  0.617485  1
  Sm  Sm193  1  0.350977  0.014196  0.649487  1
  Sm  Sm194  1  0.553472  0.090084  0.597366  1
  Sm  Sm195  1  0.702660  0.040763  0.628064  1
  Sm  Sm196  1  0.715259  0.409823  0.607707  1
  Sm  Sm197  1  0.885178  0.090430  0.598856  1
  Sm  Sm198  1  0.036751  0.047947  0.627780  1
  Sm  Sm199  1  0.466686  0.919024  0.601534  1
  Sm  Sm200  1  0.951268  0.882619  0.626798  1
  Sm  Sm201  1  0.107236  0.854323  0.644346  1
  Sm  Sm202  1  0.295365  0.570202  0.612535  1
  Sm  Sm203  1  0.263954  0.840765  0.654339  1
  Sm  Sm204  1  0.452231  0.553225  0.622601  1
  Sm  Sm205  1  0.621398  0.887306  0.622083  1
  Sm  Sm206  1  0.793507  0.566675  0.613366  1
  Sm  Sm207  1  0.765752  0.835346  0.657124  1
  Sm  Sm208  1  0.937213  0.514199  0.646824  1
  Sm  Sm209  1  0.123694  0.220618  0.623537  1
  Sm  Sm210  1  0.090990  0.491360  0.664752  1
  Sm  Sm211  1  0.280057  0.204197  0.633395  1
  Sm  Sm212  1  0.437124  0.188506  0.644827  1
  Sm  Sm213  1  0.637294  0.254261  0.600857  1
  Sm  Sm214  1  0.651545  0.619689  0.578300  1
  Sm  Sm215  1  0.774847  0.205627  0.637002  1
  Sm  Sm216  1  0.921119  0.151856  0.668947  1
  Sm  Sm217  1  0.495719  0.618447  0.685518  1
  Sm  Sm218  1  0.981493  0.580543  0.714662  1
  Sm  Sm219  1  0.139188  0.551850  0.726608  1
  Sm  Sm220  1  0.325386  0.276347  0.694731  1
  Sm  Sm221  1  0.338587  0.653722  0.673908  1
  Sm  Sm222  1  0.489889  0.254242  0.706452  1
  Sm  Sm223  1  0.640939  0.570560  0.715321  1
  Sm  Sm224  1  0.813312  0.258734  0.708746  1
  Sm  Sm225  1  0.833862  0.621954  0.684961  1
  Sm  Sm226  1  0.964455  0.204551  0.735589  1
  Sm  Sm227  1  0.151817  0.929071  0.704732  1
  Sm  Sm228  1  0.168163  0.304799  0.684612  1
  Sm  Sm229  1  0.312040  0.901589  0.716313  1
  Sm  Sm230  1  0.512120  0.993958  0.664764  1
  Sm  Sm231  1  0.657655  0.942848  0.694362  1
  Sm  Sm232  1  0.661566  0.319544  0.678975  1
  Sm  Sm233  1  0.841563  0.993666  0.663616  1
  Sm  Sm234  1  0.994934  0.956032  0.693913  1
  Sm  Sm235  1  0.426550  0.825220  0.669181  1
  Sm  Sm236  1  0.902783  0.793215  0.695610  1
  Sm  Sm237  1  0.065503  0.753809  0.710716  1
  Sm  Sm238  1  0.253097  0.478996  0.678878  1
  Sm  Sm239  1  0.223876  0.728098  0.720930  1
  Sm  Sm240  1  0.408322  0.450928  0.689157  1
  Sm  Sm241  1  0.579481  0.782411  0.688837  1
  Sm  Sm242  1  0.754386  0.468654  0.679187  1
  Sm  Sm243  1  0.729072  0.738591  0.721560  1
  Sm  Sm244  1  0.897056  0.415169  0.713781  1
  Sm  Sm245  1  0.082302  0.129506  0.690670  1
  Sm  Sm246  1  0.054786  0.374884  0.732870  1
  Sm  Sm247  1  0.239110  0.102520  0.699389  1
  Sm  Sm248  1  0.399948  0.077103  0.711207  1
  Sm  Sm249  1  0.595085  0.151186  0.663354  1
  Sm  Sm250  1  0.608730  0.522968  0.643867  1
  Sm  Sm251  1  0.733942  0.102977  0.700908  1
  Sm  Sm252  1  0.873081  0.040068  0.733795  1
