# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.61372544
_cell_length_b   15.84313145
_cell_length_c   50.01576203
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   127.31485125
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm156
_cell_volume   11730.6248567
_cell_formula_units_Z   156
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  0.256246  0.078462  0.283220  1
  Sm  Sm2  1  0.922913  0.078462  0.283220  1
  Sm  Sm3  1  0.589580  0.078462  0.283220  1
  Sm  Sm4  1  0.541191  0.635837  0.267811  1
  Sm  Sm5  1  0.207857  0.635837  0.267811  1
  Sm  Sm6  1  0.874524  0.635837  0.267811  1
  Sm  Sm7  1  0.370442  0.352116  0.281805  1
  Sm  Sm8  1  0.037108  0.352116  0.281805  1
  Sm  Sm9  1  0.703775  0.352116  0.281805  1
  Sm  Sm10  1  0.659001  0.922571  0.265538  1
  Sm  Sm11  1  0.325668  0.922571  0.265538  1
  Sm  Sm12  1  0.992334  0.922571  0.265538  1
  Sm  Sm13  1  0.408456  0.003191  0.325743  1
  Sm  Sm14  1  0.075123  0.003191  0.325743  1
  Sm  Sm15  1  0.741790  0.003191  0.325743  1
  Sm  Sm16  1  0.657050  0.531670  0.299851  1
  Sm  Sm17  1  0.323716  0.531670  0.299851  1
  Sm  Sm18  1  0.990383  0.531670  0.299851  1
  Sm  Sm19  1  0.487848  0.245711  0.310884  1
  Sm  Sm20  1  0.154515  0.245711  0.310884  1
  Sm  Sm21  1  0.821182  0.245711  0.310884  1
  Sm  Sm22  1  0.766810  0.799123  0.298135  1
  Sm  Sm23  1  0.433477  0.799123  0.298135  1
  Sm  Sm24  1  0.100144  0.799123  0.298135  1
  Sm  Sm25  1  0.554660  0.944632  0.353921  1
  Sm  Sm26  1  0.221327  0.944632  0.353921  1
  Sm  Sm27  1  0.887994  0.944632  0.353921  1
  Sm  Sm28  1  0.817163  0.479939  0.338306  1
  Sm  Sm29  1  0.483830  0.479939  0.338306  1
  Sm  Sm30  1  0.150497  0.479939  0.338306  1
  Sm  Sm31  1  0.643583  0.201073  0.351560  1
  Sm  Sm32  1  0.310249  0.201073  0.351560  1
  Sm  Sm33  1  0.976916  0.201073  0.351560  1
  Sm  Sm34  1  0.899482  0.730100  0.334444  1
  Sm  Sm35  1  0.566148  0.730100  0.334444  1
  Sm  Sm36  1  0.232815  0.730100  0.334444  1
  Sm  Sm37  1  0.696914  0.874214  0.389440  1
  Sm  Sm38  1  0.363581  0.874214  0.389440  1
  Sm  Sm39  1  0.030248  0.874214  0.389440  1
  Sm  Sm40  1  0.954136  0.404484  0.368114  1
  Sm  Sm41  1  0.620803  0.404484  0.368114  1
  Sm  Sm42  1  0.287469  0.404484  0.368114  1
  Sm  Sm43  1  0.782623  0.132301  0.386905  1
  Sm  Sm44  1  0.449290  0.132301  0.386905  1
  Sm  Sm45  1  0.115957  0.132301  0.386905  1
  Sm  Sm46  1  0.043119  0.662874  0.368817  1
  Sm  Sm47  1  0.709786  0.662874  0.368817  1
  Sm  Sm48  1  0.376453  0.662874  0.368817  1
  Sm  Sm49  1  0.839886  0.808115  0.422432  1
  Sm  Sm50  1  0.506553  0.808115  0.422432  1
  Sm  Sm51  1  0.173219  0.808115  0.422432  1
  Sm  Sm52  1  0.101418  0.343610  0.405848  1
  Sm  Sm53  1  0.768085  0.343610  0.405848  1
  Sm  Sm54  1  0.434752  0.343610  0.405848  1
  Sm  Sm55  1  0.924240  0.062103  0.420914  1
  Sm  Sm56  1  0.590907  0.062103  0.420914  1
  Sm  Sm57  1  0.257573  0.062103  0.420914  1
  Sm  Sm58  1  0.185006  0.595975  0.403675  1
  Sm  Sm59  1  0.851673  0.595975  0.403675  1
  Sm  Sm60  1  0.518339  0.595975  0.403675  1
  Sm  Sm61  1  0.982911  0.738706  0.456784  1
  Sm  Sm62  1  0.649578  0.738706  0.456784  1
  Sm  Sm63  1  0.316245  0.738706  0.456784  1
  Sm  Sm64  1  0.244985  0.274628  0.439104  1
  Sm  Sm65  1  0.911652  0.274628  0.439104  1
  Sm  Sm66  1  0.578319  0.274628  0.439104  1
  Sm  Sm67  1  0.066659  0.992595  0.455430  1
  Sm  Sm68  1  0.733326  0.992595  0.455430  1
  Sm  Sm69  1  0.399992  0.992595  0.455430  1
  Sm  Sm70  1  0.328436  0.526827  0.437542  1
  Sm  Sm71  1  0.995103  0.526827  0.437542  1
  Sm  Sm72  1  0.661770  0.526827  0.437542  1
  Sm  Sm73  1  0.125524  0.670257  0.490783  1
  Sm  Sm74  1  0.792191  0.670257  0.490783  1
  Sm  Sm75  1  0.458858  0.670257  0.490783  1
  Sm  Sm76  1  0.387928  0.204905  0.473606  1
  Sm  Sm77  1  0.054595  0.204905  0.473606  1
  Sm  Sm78  1  0.721261  0.204905  0.473606  1
  Sm  Sm79  1  0.209380  0.924004  0.489573  1
  Sm  Sm80  1  0.876047  0.924004  0.489573  1
  Sm  Sm81  1  0.542714  0.924004  0.489573  1
  Sm  Sm82  1  0.471784  0.458652  0.472395  1
  Sm  Sm83  1  0.138451  0.458652  0.472395  1
  Sm  Sm84  1  0.805118  0.458652  0.472395  1
  Sm  Sm85  1  0.268872  0.602082  0.525636  1
  Sm  Sm86  1  0.935539  0.602082  0.525636  1
  Sm  Sm87  1  0.602206  0.602082  0.525636  1
  Sm  Sm88  1  0.530650  0.136314  0.507749  1
  Sm  Sm89  1  0.197316  0.136314  0.507749  1
  Sm  Sm90  1  0.863983  0.136314  0.507749  1
  Sm  Sm91  1  0.352323  0.854282  0.524074  1
  Sm  Sm92  1  0.018990  0.854282  0.524074  1
  Sm  Sm93  1  0.685656  0.854282  0.524074  1
  Sm  Sm94  1  0.614397  0.390204  0.506394  1
  Sm  Sm95  1  0.281064  0.390204  0.506394  1
  Sm  Sm96  1  0.947730  0.390204  0.506394  1
  Sm  Sm97  1  0.412303  0.532935  0.559503  1
  Sm  Sm98  1  0.078969  0.532935  0.559503  1
  Sm  Sm99  1  0.745636  0.532935  0.559503  1
  Sm  Sm100  1  0.673069  0.066806  0.542264  1
  Sm  Sm101  1  0.339735  0.066806  0.542264  1
  Sm  Sm102  1  1.006402  0.066806  0.542264  1
  Sm  Sm103  1  0.495890  0.785299  0.557330  1
  Sm  Sm104  1  0.162557  0.785299  0.557330  1
  Sm  Sm105  1  0.829224  0.785299  0.557330  1
  Sm  Sm106  1  0.757422  0.320795  0.540747  1
  Sm  Sm107  1  0.424089  0.320795  0.540747  1
  Sm  Sm108  1  0.090756  0.320795  0.540747  1
  Sm  Sm109  1  0.554189  0.466036  0.594361  1
  Sm  Sm110  1  0.220856  0.466036  0.594361  1
  Sm  Sm111  1  0.887523  0.466036  0.594361  1
  Sm  Sm112  1  0.814685  0.996608  0.576273  1
  Sm  Sm113  1  0.481352  0.996608  0.576273  1
  Sm  Sm114  1  0.148019  0.996608  0.576273  1
  Sm  Sm115  1  0.643172  0.724426  0.595064  1
  Sm  Sm116  1  0.309839  0.724426  0.595064  1
  Sm  Sm117  1  0.976506  0.724426  0.595064  1
  Sm  Sm118  1  0.900394  0.254695  0.573739  1
  Sm  Sm119  1  0.567061  0.254695  0.573739  1
  Sm  Sm120  1  0.233727  0.254695  0.573739  1
  Sm  Sm121  1  0.697827  0.398809  0.628734  1
  Sm  Sm122  1  0.364494  0.398809  0.628734  1
  Sm  Sm123  1  0.031160  0.398809  0.628734  1
  Sm  Sm124  1  0.953726  0.927837  0.611618  1
  Sm  Sm125  1  0.620392  0.927837  0.611618  1
  Sm  Sm126  1  0.287059  0.927837  0.611618  1
  Sm  Sm127  1  0.780145  0.648971  0.624872  1
  Sm  Sm128  1  0.446812  0.648971  0.624872  1
  Sm  Sm129  1  0.113479  0.648971  0.624872  1
  Sm  Sm130  1  0.042648  0.184277  0.609258  1
  Sm  Sm131  1  0.709315  0.184277  0.609258  1
  Sm  Sm132  1  0.375982  0.184277  0.609258  1
  Sm  Sm133  1  0.830498  0.329786  0.665043  1
  Sm  Sm134  1  0.497165  0.329786  0.665043  1
  Sm  Sm135  1  0.163831  0.329786  0.665043  1
  Sm  Sm136  1  0.109460  0.883198  0.652294  1
  Sm  Sm137  1  0.776127  0.883198  0.652294  1
  Sm  Sm138  1  0.442793  0.883198  0.652294  1
  Sm  Sm139  1  0.940259  0.597239  0.663327  1
  Sm  Sm140  1  0.606925  0.597239  0.663327  1
  Sm  Sm141  1  0.273592  0.597239  0.663327  1
  Sm  Sm142  1  0.188852  0.125718  0.637435  1
  Sm  Sm143  1  0.855519  0.125718  0.637435  1
  Sm  Sm144  1  0.522185  0.125718  0.637435  1
  Sm  Sm145  1  0.938307  0.206338  0.697640  1
  Sm  Sm146  1  0.604974  0.206338  0.697640  1
  Sm  Sm147  1  0.271641  0.206338  0.697640  1
  Sm  Sm148  1  0.226867  0.776793  0.681373  1
  Sm  Sm149  1  0.893534  0.776793  0.681373  1
  Sm  Sm150  1  0.560200  0.776793  0.681373  1
  Sm  Sm151  1  0.056118  0.493073  0.695368  1
  Sm  Sm152  1  0.722785  0.493073  0.695368  1
  Sm  Sm153  1  0.389451  0.493073  0.695368  1
  Sm  Sm154  1  0.341062  0.050447  0.679958  1
  Sm  Sm155  1  1.007729  0.050447  0.679958  1
  Sm  Sm156  1  0.674396  0.050447  0.679958  1
