# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46381636
_cell_length_b   52.66872943
_cell_length_c   51.29233732
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.00479135
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm126
_cell_volume   9351.77996464
_cell_formula_units_Z   126
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  0.713813  0.331162  0.277141  1
  Sm  Sm2  1  0.467542  0.835436  0.244754  1
  Sm  Sm3  1  0.243756  0.390963  0.251790  1
  Sm  Sm4  1  0.491846  0.885888  0.285237  1
  Sm  Sm5  1  0.768025  0.440292  0.291451  1
  Sm  Sm6  1  0.519326  0.943007  0.257159  1
  Sm  Sm7  1  0.545779  0.994680  0.298443  1
  Sm  Sm8  1  0.297881  0.499050  0.266367  1
  Sm  Sm9  1  0.075711  0.053669  0.272701  1
  Sm  Sm10  1  0.827863  0.558826  0.240948  1
  Sm  Sm11  1  0.103241  0.112351  0.246245  1
  Sm  Sm12  1  0.352213  0.608208  0.280541  1
  Sm  Sm13  1  0.129659  0.163430  0.287674  1
  Sm  Sm14  1  0.882131  0.666958  0.255374  1
  Sm  Sm15  1  0.659939  0.223234  0.262311  1
  Sm  Sm16  1  0.412241  0.726742  0.229889  1
  Sm  Sm17  1  0.184000  0.272386  0.302172  1
  Sm  Sm18  1  0.936870  0.776309  0.269267  1
  Sm  Sm19  1  0.209617  0.323341  0.343677  1
  Sm  Sm20  1  0.962226  0.826831  0.311108  1
  Sm  Sm21  1  0.739491  0.382453  0.318321  1
  Sm  Sm22  1  0.987706  0.877991  0.352038  1
  Sm  Sm23  1  0.263689  0.431901  0.357779  1
  Sm  Sm24  1  1.015781  0.935513  0.324155  1
  Sm  Sm25  1  0.041575  0.986820  0.365103  1
  Sm  Sm26  1  0.793742  0.491299  0.332910  1
  Sm  Sm27  1  0.571389  0.046038  0.339713  1
  Sm  Sm28  1  0.323628  0.550387  0.307485  1
  Sm  Sm29  1  0.599570  0.103955  0.312781  1
  Sm  Sm30  1  0.847881  0.599867  0.346886  1
  Sm  Sm31  1  0.625416  0.155191  0.354170  1
  Sm  Sm32  1  0.377967  0.659246  0.321930  1
  Sm  Sm33  1  0.155499  0.214511  0.328986  1
  Sm  Sm34  1  0.907917  0.718351  0.296368  1
  Sm  Sm35  1  0.679582  0.263903  0.368481  1
  Sm  Sm36  1  0.432157  0.767648  0.335779  1
  Sm  Sm37  1  0.705261  0.314869  0.410193  1
  Sm  Sm38  1  0.457840  0.818712  0.377428  1
  Sm  Sm39  1  0.235266  0.374186  0.385157  1
  Sm  Sm40  1  0.483423  0.869837  0.418604  1
  Sm  Sm41  1  0.759411  0.423582  0.424379  1
  Sm  Sm42  1  0.511670  0.927575  0.390697  1
  Sm  Sm43  1  0.537339  0.978694  0.431838  1
  Sm  Sm44  1  0.289440  0.482899  0.399437  1
  Sm  Sm45  1  0.067167  0.037895  0.406505  1
  Sm  Sm46  1  0.819439  0.542186  0.374333  1
  Sm  Sm47  1  0.095365  0.095694  0.379126  1
  Sm  Sm48  1  0.343617  0.591606  0.413510  1
  Sm  Sm49  1  0.121091  0.146763  0.420724  1
  Sm  Sm50  1  0.873656  0.650890  0.388493  1
  Sm  Sm51  1  0.651109  0.206086  0.395742  1
  Sm  Sm52  1  0.403659  0.710121  0.363282  1
  Sm  Sm53  1  0.175237  0.255520  0.435045  1
  Sm  Sm54  1  0.927823  0.759500  0.402453  1
  Sm  Sm55  1  0.200929  0.306471  0.476724  1
  Sm  Sm56  1  0.953489  0.810530  0.443925  1
  Sm  Sm57  1  0.730967  0.365803  0.451784  1
  Sm  Sm58  1  0.979153  0.861652  0.485132  1
  Sm  Sm59  1  0.255123  0.415224  0.490972  1
  Sm  Sm60  1  1.007440  0.919417  0.457262  1
  Sm  Sm61  1  1.033078  0.970526  0.498475  1
  Sm  Sm62  1  0.785155  0.474551  0.465980  1
  Sm  Sm63  1  0.562915  0.029714  0.473220  1
  Sm  Sm64  1  0.315176  0.533863  0.440977  1
  Sm  Sm65  1  0.591144  0.087419  0.445682  1
  Sm  Sm66  1  0.839346  0.583313  0.480123  1
  Sm  Sm67  1  0.616766  0.138430  0.487255  1
  Sm  Sm68  1  0.369368  0.642604  0.455068  1
  Sm  Sm69  1  0.146770  0.197727  0.462361  1
  Sm  Sm70  1  0.899360  0.701859  0.429994  1
  Sm  Sm71  1  0.670900  0.247143  0.501638  1
  Sm  Sm72  1  0.423513  0.751313  0.469124  1
  Sm  Sm73  1  0.696589  0.298065  0.543259  1
  Sm  Sm74  1  0.449200  0.802362  0.510525  1
  Sm  Sm75  1  0.226661  0.357422  0.518373  1
  Sm  Sm76  1  0.474936  0.853503  0.551680  1
  Sm  Sm77  1  0.750833  0.406854  0.557591  1
  Sm  Sm78  1  0.503197  0.911249  0.523799  1
  Sm  Sm79  1  0.528846  0.962405  0.565035  1
  Sm  Sm80  1  0.280868  0.466197  0.532516  1
  Sm  Sm81  1  0.058686  0.021510  0.539927  1
  Sm  Sm82  1  0.810908  0.525537  0.507577  1
  Sm  Sm83  1  0.086855  0.079126  0.512283  1
  Sm  Sm84  1  0.335078  0.575009  0.546753  1
  Sm  Sm85  1  0.112376  0.130087  0.553736  1
  Sm  Sm86  1  0.865090  0.634325  0.521628  1
  Sm  Sm87  1  0.642412  0.189384  0.528967  1
  Sm  Sm88  1  0.395084  0.693624  0.496642  1
  Sm  Sm89  1  0.166539  0.238736  0.568294  1
  Sm  Sm90  1  0.919240  0.743152  0.535828  1
  Sm  Sm91  1  0.192221  0.289579  0.609776  1
  Sm  Sm92  1  0.944962  0.794239  0.577225  1
  Sm  Sm93  1  0.722357  0.349059  0.584964  1
  Sm  Sm94  1  0.970903  0.845593  0.618197  1
  Sm  Sm95  1  0.246611  0.398585  0.624388  1
  Sm  Sm96  1  0.998984  0.903141  0.590351  1
  Sm  Sm97  1  1.024629  0.954424  0.631294  1
  Sm  Sm98  1  0.776558  0.457776  0.599025  1
  Sm  Sm99  1  0.554511  0.013327  0.606693  1
  Sm  Sm100  1  0.306646  0.517235  0.574171  1
  Sm  Sm101  1  0.582509  0.070773  0.578945  1
  Sm  Sm102  1  0.830883  0.566804  0.613555  1
  Sm  Sm103  1  0.607912  0.121733  0.620061  1
  Sm  Sm104  1  0.360793  0.625974  0.588152  1
  Sm  Sm105  1  0.138014  0.181056  0.595594  1
  Sm  Sm106  1  0.890808  0.685399  0.563260  1
  Sm  Sm107  1  0.662209  0.230343  0.635139  1
  Sm  Sm108  1  0.414941  0.735003  0.602631  1
  Sm  Sm109  1  0.687969  0.281683  0.676276  1
  Sm  Sm110  1  0.440935  0.786410  0.643827  1
  Sm  Sm111  1  0.217975  0.340599  0.651277  1
  Sm  Sm112  1  0.467225  0.837973  0.685125  1
  Sm  Sm113  1  0.742349  0.390087  0.690846  1
  Sm  Sm114  1  0.494963  0.895287  0.657098  1
  Sm  Sm115  1  0.519681  0.945716  0.697238  1
  Sm  Sm116  1  0.272388  0.449957  0.665527  1
  Sm  Sm117  1  0.051319  0.006003  0.674114  1
  Sm  Sm118  1  0.802317  0.508842  0.640486  1
  Sm  Sm119  1  0.078245  0.062563  0.645839  1
  Sm  Sm120  1  0.326651  0.558357  0.680020  1
  Sm  Sm121  1  0.102542  0.112980  0.686372  1
  Sm  Sm122  1  0.856625  0.618209  0.654656  1
  Sm  Sm123  1  0.633222  0.172217  0.662051  1
  Sm  Sm124  1  0.386484  0.677089  0.629612  1
  Sm  Sm125  1  0.157799  0.221769  0.701542  1
  Sm  Sm126  1  0.910676  0.726621  0.669246  1
