# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12045755
_cell_length_b   26.76485400
_cell_length_c   51.03259259
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm108
_cell_volume   8359.80988168
_cell_formula_units_Z   108
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  0.202903  0.244113  0.264532  1
  Sm  Sm2  1  0.713791  0.227855  0.305594  1
  Sm  Sm3  1  0.765061  0.127587  0.255141  1
  Sm  Sm4  1  0.293773  0.122098  0.294896  1
  Sm  Sm5  1  0.194483  0.021012  0.255496  1
  Sm  Sm6  1  0.688914  0.011350  0.297271  1
  Sm  Sm7  1  0.275870  0.899602  0.286442  1
  Sm  Sm8  1  0.754165  0.920829  0.247954  1
  Sm  Sm9  1  0.895862  0.790081  0.272042  1
  Sm  Sm10  1  0.405916  0.778840  0.311849  1
  Sm  Sm11  1  1.005935  0.667500  0.300428  1
  Sm  Sm12  1  0.493117  0.680755  0.260863  1
  Sm  Sm13  1  0.096356  0.567906  0.249687  1
  Sm  Sm14  1  0.604942  0.557981  0.288896  1
  Sm  Sm15  1  0.202653  0.442766  0.275071  1
  Sm  Sm16  1  0.680215  0.466059  0.237133  1
  Sm  Sm17  1  0.139281  0.335735  0.316347  1
  Sm  Sm18  1  0.654542  0.342332  0.271257  1
  Sm  Sm19  1  0.241618  0.220811  0.344064  1
  Sm  Sm20  1  0.779036  0.217221  0.380537  1
  Sm  Sm21  1  0.838348  0.111783  0.332181  1
  Sm  Sm22  1  0.379486  0.106091  0.368383  1
  Sm  Sm23  1  0.207262  0.001666  0.334786  1
  Sm  Sm24  1  0.738984  0.997015  0.372640  1
  Sm  Sm25  1  0.329805  0.887104  0.361776  1
  Sm  Sm26  1  0.795202  0.890353  0.324151  1
  Sm  Sm27  1  0.939334  0.775419  0.349299  1
  Sm  Sm28  1  0.475697  0.771624  0.386733  1
  Sm  Sm29  1  0.077238  0.660280  0.375059  1
  Sm  Sm30  1  0.539147  0.663438  0.338287  1
  Sm  Sm31  1  0.141549  0.550668  0.325957  1
  Sm  Sm32  1  0.682905  0.548656  0.363028  1
  Sm  Sm33  1  0.280053  0.440079  0.351806  1
  Sm  Sm34  1  0.738957  0.442388  0.314220  1
  Sm  Sm35  1  0.183240  0.326589  0.392435  1
  Sm  Sm36  1  0.652606  0.331325  0.354476  1
  Sm  Sm37  1  0.317333  0.212049  0.417904  1
  Sm  Sm38  1  0.854161  0.207519  0.455139  1
  Sm  Sm39  1  0.915870  0.102253  0.406003  1
  Sm  Sm40  1  0.450291  0.097041  0.443457  1
  Sm  Sm41  1  0.271475  0.992591  0.410360  1
  Sm  Sm42  1  0.805678  0.987987  0.448060  1
  Sm  Sm43  1  0.401109  0.878200  0.436945  1
  Sm  Sm44  1  0.866068  0.882908  0.399263  1
  Sm  Sm45  1  1.009788  0.766780  0.424508  1
  Sm  Sm46  1  0.544213  0.762083  0.462194  1
  Sm  Sm47  1  0.147427  0.650869  0.450541  1
  Sm  Sm48  1  0.612767  0.655551  0.412935  1
  Sm  Sm49  1  0.219516  0.544388  0.400868  1
  Sm  Sm50  1  0.755011  0.539206  0.438335  1
  Sm  Sm51  1  0.353955  0.429947  0.426591  1
  Sm  Sm52  1  0.818766  0.434848  0.388848  1
  Sm  Sm53  1  0.251184  0.317075  0.467880  1
  Sm  Sm54  1  0.716631  0.321929  0.430163  1
  Sm  Sm55  1  0.391876  0.202721  0.492333  1
  Sm  Sm56  1  0.930288  0.197882  0.529474  1
  Sm  Sm57  1  0.985090  0.092387  0.480988  1
  Sm  Sm58  1  0.519035  0.087554  0.518666  1
  Sm  Sm59  1  0.339962  0.983254  0.485708  1
  Sm  Sm60  1  0.873404  0.978407  0.523142  1
  Sm  Sm61  1  0.470456  0.868776  0.512138  1
  Sm  Sm62  1  0.935938  0.873563  0.474548  1
  Sm  Sm63  1  0.078827  0.757436  0.499816  1
  Sm  Sm64  1  0.613046  0.752718  0.537604  1
  Sm  Sm65  1  0.217740  0.641556  0.525783  1
  Sm  Sm66  1  0.682938  0.646267  0.488117  1
  Sm  Sm67  1  0.291670  0.534749  0.475848  1
  Sm  Sm68  1  0.828015  0.530116  0.513423  1
  Sm  Sm69  1  0.422655  0.420674  0.502169  1
  Sm  Sm70  1  0.888800  0.425336  0.464334  1
  Sm  Sm71  1  0.322949  0.307675  0.543104  1
  Sm  Sm72  1  0.786257  0.312379  0.505555  1
  Sm  Sm73  1  0.468103  0.193663  0.566463  1
  Sm  Sm74  1  1.006399  0.188955  0.603766  1
  Sm  Sm75  1  0.050390  0.082792  0.556246  1
  Sm  Sm76  1  0.571318  0.077727  0.594146  1
  Sm  Sm77  1  0.409250  0.973331  0.560888  1
  Sm  Sm78  1  0.949281  0.968630  0.596868  1
  Sm  Sm79  1  0.540256  0.859725  0.587597  1
  Sm  Sm80  1  1.004593  0.863702  0.549892  1
  Sm  Sm81  1  0.148610  0.748621  0.575285  1
  Sm  Sm82  1  0.687461  0.745924  0.612894  1
  Sm  Sm83  1  0.290988  0.633890  0.600304  1
  Sm  Sm84  1  0.754011  0.637557  0.563352  1
  Sm  Sm85  1  0.365738  0.525768  0.550996  1
  Sm  Sm86  1  0.901142  0.521426  0.587903  1
  Sm  Sm87  1  0.484677  0.411062  0.578284  1
  Sm  Sm88  1  0.955422  0.415761  0.540186  1
  Sm  Sm89  1  0.407529  0.297722  0.617662  1
  Sm  Sm90  1  0.863495  0.301588  0.580268  1
  Sm  Sm91  1  0.525460  0.177607  0.639097  1
  Sm  Sm92  1  1.014158  0.162866  0.682660  1
  Sm  Sm93  1  0.070196  0.071456  0.633299  1
  Sm  Sm94  1  0.535085  0.073866  0.680033  1
  Sm  Sm95  1  0.489698  0.969016  0.635471  1
  Sm  Sm96  1  1.008678  0.962976  0.675324  1
  Sm  Sm97  1  0.599712  0.850378  0.664366  1
  Sm  Sm98  1  0.080005  0.857976  0.625466  1
  Sm  Sm99  1  0.217868  0.739427  0.650152  1
  Sm  Sm100  1  0.746816  0.720970  0.688038  1
  Sm  Sm101  1  0.328667  0.614913  0.676812  1
  Sm  Sm102  1  0.817847  0.626180  0.637311  1
  Sm  Sm103  1  0.422450  0.513646  0.626396  1
  Sm  Sm104  1  0.924364  0.503740  0.666154  1
  Sm  Sm105  1  0.487213  0.393863  0.662402  1
  Sm  Sm106  1  0.997300  0.404475  0.617888  1
  Sm  Sm107  1  0.476237  0.249402  0.693594  1
  Sm  Sm108  1  0.946090  0.290155  0.657146  1
