# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.29171532
_cell_length_b   15.14208400
_cell_length_c   47.05332861
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   122.88472424
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm126
_cell_volume   9747.66072992
_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  0.776370  0.596170  0.292868  1
  Sm  Sm2  1  0.484916  0.583153  0.300128  1
  Sm  Sm3  1  0.437488  0.154422  0.279143  1
  Sm  Sm4  1  0.125890  0.606191  0.291689  1
  Sm  Sm5  1  0.082506  0.187000  0.271486  1
  Sm  Sm6  1  0.175994  0.038188  0.312407  1
  Sm  Sm7  1  0.720303  0.156797  0.271624  1
  Sm  Sm8  1  0.841594  0.041701  0.316729  1
  Sm  Sm9  1  0.525913  0.014615  0.323896  1
  Sm  Sm10  1  0.917689  0.894291  0.280825  1
  Sm  Sm11  1  0.619026  0.868396  0.285820  1
  Sm  Sm12  1  0.717161  0.744693  0.333468  1
  Sm  Sm13  1  0.275725  0.877426  0.286222  1
  Sm  Sm14  1  0.377153  0.738742  0.328628  1
  Sm  Sm15  1  0.328064  0.306982  0.307441  1
  Sm  Sm16  1  0.025915  0.761639  0.323394  1
  Sm  Sm17  1  0.970859  0.327497  0.301911  1
  Sm  Sm18  1  0.668257  0.310349  0.311302  1
  Sm  Sm19  1  0.943481  0.901692  0.360406  1
  Sm  Sm20  1  0.623413  0.878988  0.366875  1
  Sm  Sm21  1  0.574376  0.446222  0.344341  1
  Sm  Sm22  1  0.276677  0.902345  0.358096  1
  Sm  Sm23  1  0.226079  0.465530  0.332010  1
  Sm  Sm24  1  0.326328  0.336370  0.380134  1
  Sm  Sm25  1  0.892157  0.473040  0.337438  1
  Sm  Sm26  1  0.993205  0.333750  0.381342  1
  Sm  Sm27  1  0.674139  0.311163  0.389517  1
  Sm  Sm28  1  0.076747  0.190071  0.346730  1
  Sm  Sm29  1  0.764771  0.173821  0.353782  1
  Sm  Sm30  1  0.862635  0.034482  0.397350  1
  Sm  Sm31  1  0.422657  0.169025  0.353251  1
  Sm  Sm32  1  0.526236  0.036541  0.397590  1
  Sm  Sm33  1  0.473054  0.602108  0.374623  1
  Sm  Sm34  1  0.178790  0.057400  0.389392  1
  Sm  Sm35  1  0.130039  0.625267  0.366860  1
  Sm  Sm36  1  0.812483  0.602037  0.375371  1
  Sm  Sm37  1  0.091306  0.197191  0.425898  1
  Sm  Sm38  1  0.777005  0.178013  0.433025  1
  Sm  Sm39  1  0.724848  0.744390  0.410990  1
  Sm  Sm40  1  0.426815  0.202053  0.424914  1
  Sm  Sm41  1  0.378261  0.770448  0.401957  1
  Sm  Sm42  1  0.476685  0.634088  0.446314  1
  Sm  Sm43  1  0.041397  0.764467  0.403315  1
  Sm  Sm44  1  0.143252  0.631462  0.447059  1
  Sm  Sm45  1  0.826230  0.609637  0.454737  1
  Sm  Sm46  1  0.228576  0.490544  0.410634  1
  Sm  Sm47  1  0.915550  0.468995  0.418650  1
  Sm  Sm48  1  0.015643  0.334859  0.462911  1
  Sm  Sm49  1  0.575531  0.468989  0.419147  1
  Sm  Sm50  1  0.677371  0.334010  0.463514  1
  Sm  Sm51  1  0.626224  0.901247  0.441831  1
  Sm  Sm52  1  0.328846  0.357062  0.455636  1
  Sm  Sm53  1  0.279098  0.924301  0.433598  1
  Sm  Sm54  1  0.965124  0.901167  0.441259  1
  Sm  Sm55  1  0.241886  0.497079  0.491552  1
  Sm  Sm56  1  0.927448  0.474795  0.498576  1
  Sm  Sm57  1  0.876738  0.042164  0.477125  1
  Sm  Sm58  1  0.578312  0.499094  0.490841  1
  Sm  Sm59  1  0.528529  0.067418  0.469056  1
  Sm  Sm60  1  0.629559  0.931552  0.513393  1
  Sm  Sm61  1  0.191807  0.064096  0.469995  1
  Sm  Sm62  1  0.291527  0.930349  0.513836  1
  Sm  Sm63  1  0.977104  0.906830  0.520941  1
  Sm  Sm64  1  0.379608  0.790221  0.477683  1
  Sm  Sm65  1  0.065185  0.766701  0.484788  1
  Sm  Sm66  1  0.164905  0.632954  0.528628  1
  Sm  Sm67  1  0.727152  0.765499  0.485230  1
  Sm  Sm68  1  0.828183  0.629632  0.529568  1
  Sm  Sm69  1  0.778400  0.197957  0.507782  1
  Sm  Sm70  1  0.479973  0.654887  0.521499  1
  Sm  Sm71  1  0.429264  0.222255  0.500047  1
  Sm  Sm72  1  0.114826  0.199971  0.507071  1
  Sm  Sm73  1  0.391588  0.795884  0.557364  1
  Sm  Sm74  1  0.077614  0.772749  0.565026  1
  Sm  Sm75  1  0.027866  0.339988  0.542988  1
  Sm  Sm76  1  0.730487  0.795803  0.556793  1
  Sm  Sm77  1  0.679340  0.363041  0.535109  1
  Sm  Sm78  1  0.781181  0.228062  0.579477  1
  Sm  Sm79  1  0.341069  0.362192  0.535712  1
  Sm  Sm80  1  0.441162  0.228056  0.579974  1
  Sm  Sm81  1  0.128135  0.206506  0.587990  1
  Sm  Sm82  1  0.530481  0.087414  0.543887  1
  Sm  Sm83  1  0.213460  0.065588  0.551565  1
  Sm  Sm84  1  0.315315  0.932583  0.595309  1
  Sm  Sm85  1  0.880027  0.062962  0.552309  1
  Sm  Sm86  1  0.978450  0.926603  0.596667  1
  Sm  Sm87  1  0.929897  0.494997  0.573710  1
  Sm  Sm88  1  0.631864  0.952660  0.587633  1
  Sm  Sm89  1  0.579707  0.519037  0.565598  1
  Sm  Sm90  1  0.265406  0.499859  0.572725  1
  Sm  Sm91  1  0.544229  0.095014  0.623253  1
  Sm  Sm92  1  0.226673  0.071783  0.631764  1
  Sm  Sm93  1  0.177922  0.639651  0.609231  1
  Sm  Sm94  1  0.883658  0.094943  0.624001  1
  Sm  Sm95  1  0.830476  0.660509  0.601034  1
  Sm  Sm96  1  0.934054  0.528025  0.645372  1
  Sm  Sm97  1  0.494077  0.662568  0.601273  1
  Sm  Sm98  1  0.591941  0.523229  0.644841  1
  Sm  Sm99  1  0.279965  0.506979  0.651894  1
  Sm  Sm100  1  0.682573  0.385887  0.609107  1
  Sm  Sm101  1  0.363506  0.363301  0.617282  1
  Sm  Sm102  1  0.464555  0.224010  0.661185  1
  Sm  Sm103  1  0.030384  0.360680  0.618490  1
  Sm  Sm104  1  0.130633  0.231521  0.666614  1
  Sm  Sm105  1  0.080035  0.794705  0.640528  1
  Sm  Sm106  1  0.782336  0.250829  0.654283  1
  Sm  Sm107  1  0.733298  0.818062  0.631749  1
  Sm  Sm108  1  0.413231  0.795359  0.638218  1
  Sm  Sm109  1  0.688455  0.386701  0.687322  1
  Sm  Sm110  1  0.385852  0.369554  0.696713  1
  Sm  Sm111  1  0.330797  0.935412  0.675230  1
  Sm  Sm112  1  0.028648  0.390068  0.691182  1
  Sm  Sm113  1  0.979559  0.958308  0.669996  1
  Sm  Sm114  1  0.080987  0.819624  0.712401  1
  Sm  Sm115  1  0.639551  0.952357  0.665156  1
  Sm  Sm116  1  0.737685  0.828654  0.712804  1
  Sm  Sm117  1  0.439023  0.802759  0.717798  1
  Sm  Sm118  1  0.830799  0.682436  0.674728  1
  Sm  Sm119  1  0.515118  0.655350  0.681895  1
  Sm  Sm120  1  0.636408  0.540253  0.726999  1
  Sm  Sm121  1  0.180718  0.658863  0.686216  1
  Sm  Sm122  1  0.274206  0.510050  0.727137  1
  Sm  Sm123  1  0.230821  0.090859  0.706934  1
  Sm  Sm124  1  0.919223  0.542628  0.719481  1
  Sm  Sm125  1  0.871796  0.113897  0.698495  1
  Sm  Sm126  1  0.580342  0.100880  0.705756  1
