# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   24.66624783
_cell_length_b   9.30327244
_cell_length_c   45.88254377
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.42797079
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm128
_cell_volume   10142.5008536
_cell_formula_units_Z   128
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  0.475464  0.728774  0.283250  1
  Sm  Sm2  1  0.975464  0.728774  0.283250  1
  Sm  Sm3  1  0.437356  0.392140  0.311870  1
  Sm  Sm4  1  0.937356  0.392140  0.311870  1
  Sm  Sm5  1  0.671557  0.589837  0.293947  1
  Sm  Sm6  1  0.171557  0.589837  0.293947  1
  Sm  Sm7  1  0.689155  0.212920  0.326087  1
  Sm  Sm8  1  0.189155  0.212920  0.326087  1
  Sm  Sm9  1  0.819163  0.247674  0.285526  1
  Sm  Sm10  1  0.319163  0.247674  0.285526  1
  Sm  Sm11  1  0.816771  0.870842  0.309852  1
  Sm  Sm12  1  0.316771  0.870842  0.309852  1
  Sm  Sm13  1  0.567231  0.960639  0.302884  1
  Sm  Sm14  1  0.067231  0.960639  0.302884  1
  Sm  Sm15  1  0.573047  0.329213  0.276535  1
  Sm  Sm16  1  0.073047  0.329213  0.276535  1
  Sm  Sm17  1  0.435655  0.029025  0.339555  1
  Sm  Sm18  1  0.935655  0.029025  0.339555  1
  Sm  Sm19  1  0.424314  0.695535  0.367426  1
  Sm  Sm20  1  0.924314  0.695535  0.367426  1
  Sm  Sm21  1  0.680462  0.860793  0.353595  1
  Sm  Sm22  1  0.180462  0.860793  0.353595  1
  Sm  Sm23  1  0.677738  0.520336  0.382724  1
  Sm  Sm24  1  0.177738  0.520336  0.382724  1
  Sm  Sm25  1  0.802044  0.535239  0.340818  1
  Sm  Sm26  1  0.302044  0.535239  0.340818  1
  Sm  Sm27  1  0.806941  0.191679  0.368248  1
  Sm  Sm28  1  0.306941  0.191679  0.368248  1
  Sm  Sm29  1  0.553455  0.204905  0.364618  1
  Sm  Sm30  1  0.053455  0.204905  0.364618  1
  Sm  Sm31  1  0.559878  0.560562  0.341112  1
  Sm  Sm32  1  0.059878  0.560562  0.341112  1
  Sm  Sm33  1  0.424324  0.355984  0.394799  1
  Sm  Sm34  1  0.924324  0.355984  0.394799  1
  Sm  Sm35  1  0.417486  0.016022  0.422331  1
  Sm  Sm36  1  0.917486  0.016022  0.422331  1
  Sm  Sm37  1  0.669419  0.185833  0.408242  1
  Sm  Sm38  1  0.169419  0.185833  0.408242  1
  Sm  Sm39  1  0.664231  0.845919  0.436031  1
  Sm  Sm40  1  0.164231  0.845919  0.436031  1
  Sm  Sm41  1  0.796505  0.861615  0.394574  1
  Sm  Sm42  1  0.296505  0.861615  0.394574  1
  Sm  Sm43  1  0.792734  0.518518  0.422941  1
  Sm  Sm44  1  0.292734  0.518518  0.422941  1
  Sm  Sm45  1  0.542243  0.517218  0.421502  1
  Sm  Sm46  1  0.042243  0.517218  0.421502  1
  Sm  Sm47  1  0.548060  0.861292  0.392823  1
  Sm  Sm48  1  0.048060  0.861292  0.392823  1
  Sm  Sm49  1  0.410617  0.675061  0.449900  1
  Sm  Sm50  1  0.910617  0.675061  0.449900  1
  Sm  Sm51  1  0.405622  0.333494  0.477680  1
  Sm  Sm52  1  0.905622  0.333494  0.477680  1
  Sm  Sm53  1  0.659175  0.503414  0.464079  1
  Sm  Sm54  1  0.159175  0.503414  0.464079  1
  Sm  Sm55  1  0.652600  0.162247  0.491373  1
  Sm  Sm56  1  0.152600  0.162247  0.491373  1
  Sm  Sm57  1  0.785893  0.176256  0.450977  1
  Sm  Sm58  1  0.285893  0.176256  0.450977  1
  Sm  Sm59  1  0.780224  0.834502  0.478513  1
  Sm  Sm60  1  0.280224  0.834502  0.478513  1
  Sm  Sm61  1  0.530652  0.831989  0.476349  1
  Sm  Sm62  1  0.030652  0.831989  0.476349  1
  Sm  Sm63  1  0.536666  0.173722  0.448692  1
  Sm  Sm64  1  0.036666  0.173722  0.448692  1
  Sm  Sm65  1  0.399618  0.992123  0.505120  1
  Sm  Sm66  1  0.899618  0.992123  0.505120  1
  Sm  Sm67  1  0.394975  0.650655  0.533082  1
  Sm  Sm68  1  0.894975  0.650655  0.533082  1
  Sm  Sm69  1  0.646074  0.822042  0.518889  1
  Sm  Sm70  1  0.146074  0.822042  0.518889  1
  Sm  Sm71  1  0.640962  0.478868  0.546420  1
  Sm  Sm72  1  0.140962  0.478868  0.546420  1
  Sm  Sm73  1  0.774720  0.493417  0.506605  1
  Sm  Sm74  1  0.274720  0.493417  0.506605  1
  Sm  Sm75  1  0.768709  0.151338  0.534167  1
  Sm  Sm76  1  0.268709  0.151338  0.534167  1
  Sm  Sm77  1  0.519253  0.149063  0.531974  1
  Sm  Sm78  1  0.019253  0.149063  0.531974  1
  Sm  Sm79  1  0.525009  0.490539  0.504131  1
  Sm  Sm80  1  0.025009  0.490539  0.504131  1
  Sm  Sm81  1  0.387283  0.309367  0.560484  1
  Sm  Sm82  1  0.887283  0.309367  0.560484  1
  Sm  Sm83  1  0.382201  0.968789  0.588496  1
  Sm  Sm84  1  0.882201  0.968789  0.588496  1
  Sm  Sm85  1  0.635873  0.139245  0.574884  1
  Sm  Sm86  1  0.135873  0.139245  0.574884  1
  Sm  Sm87  1  0.627373  0.800548  0.600283  1
  Sm  Sm88  1  0.127373  0.800548  0.600283  1
  Sm  Sm89  1  0.762924  0.808661  0.561175  1
  Sm  Sm90  1  0.262924  0.808661  0.561175  1
  Sm  Sm91  1  0.756727  0.466159  0.589949  1
  Sm  Sm92  1  0.256727  0.466159  0.589949  1
  Sm  Sm93  1  0.508753  0.463469  0.588138  1
  Sm  Sm94  1  0.008753  0.463469  0.588138  1
  Sm  Sm95  1  0.512608  0.806081  0.560100  1
  Sm  Sm96  1  0.012608  0.806081  0.560100  1
  Sm  Sm97  1  0.379518  0.632603  0.615191  1
  Sm  Sm98  1  0.879518  0.632603  0.615191  1
  Sm  Sm99  1  0.369051  0.298599  0.643451  1
  Sm  Sm100  1  0.869051  0.298599  0.643451  1
  Sm  Sm101  1  0.625014  0.464177  0.629754  1
  Sm  Sm102  1  0.125014  0.464177  0.629754  1
  Sm  Sm103  1  0.616202  0.113627  0.654751  1
  Sm  Sm104  1  0.116202  0.113627  0.654751  1
  Sm  Sm105  1  0.753099  0.124810  0.617540  1
  Sm  Sm106  1  0.253099  0.124810  0.617540  1
  Sm  Sm107  1  0.745474  0.775877  0.641542  1
  Sm  Sm108  1  0.245474  0.775877  0.641542  1
  Sm  Sm109  1  0.507290  0.779892  0.645009  1
  Sm  Sm110  1  0.007290  0.779892  0.645009  1
  Sm  Sm111  1  0.497244  0.128298  0.614418  1
  Sm  Sm112  1  0.997244  0.128298  0.614418  1
  Sm  Sm113  1  0.370704  0.938343  0.671206  1
  Sm  Sm114  1  0.870704  0.938343  0.671206  1
  Sm  Sm115  1  0.327549  0.616267  0.700369  1
  Sm  Sm116  1  0.827549  0.616267  0.700369  1
  Sm  Sm117  1  0.639485  0.752568  0.690521  1
  Sm  Sm118  1  0.139485  0.752568  0.690521  1
  Sm  Sm119  1  0.599220  0.407058  0.710518  1
  Sm  Sm120  1  0.099220  0.407058  0.710518  1
  Sm  Sm121  1  0.740019  0.383321  0.677958  1
  Sm  Sm122  1  0.240019  0.383321  0.677958  1
  Sm  Sm123  1  0.730134  0.033408  0.705575  1
  Sm  Sm124  1  0.230134  0.033408  0.705575  1
  Sm  Sm125  1  0.492586  0.085791  0.698292  1
  Sm  Sm126  1  0.992586  0.085791  0.698292  1
  Sm  Sm127  1  0.479743  0.454099  0.670278  1
  Sm  Sm128  1  0.979743  0.454099  0.670278  1
