# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14871576
_cell_length_b   52.67765839
_cell_length_c   48.32156921
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.47381984
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm198
_cell_volume   15622.5958059
_cell_formula_units_Z   198
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  0.320867  0.309204  0.259766  1
  Sm  Sm2  1  0.373961  0.817060  0.294696  1
  Sm  Sm3  1  0.749124  0.367273  0.265058  1
  Sm  Sm4  1  0.834899  0.870591  0.293934  1
  Sm  Sm5  1  0.176890  0.424463  0.270730  1
  Sm  Sm6  1  0.413211  0.924452  0.290102  1
  Sm  Sm7  1  0.856586  0.982339  0.295119  1
  Sm  Sm8  1  0.605573  0.481695  0.275746  1
  Sm  Sm9  1  0.758238  0.051775  0.263636  1
  Sm  Sm10  1  0.065565  0.535456  0.275012  1
  Sm  Sm11  1  0.230358  0.100020  0.268731  1
  Sm  Sm12  1  0.645790  0.589240  0.270609  1
  Sm  Sm13  1  0.732058  0.141357  0.267006  1
  Sm  Sm14  1  0.087621  0.646115  0.277091  1
  Sm  Sm15  1  0.283344  0.190024  0.263705  1
  Sm  Sm16  1  0.516450  0.703244  0.283432  1
  Sm  Sm17  1  0.890095  0.251160  0.254689  1
  Sm  Sm18  1  0.943843  0.760168  0.289487  1
  Sm  Sm19  1  0.843576  0.309706  0.300582  1
  Sm  Sm20  1  0.882005  0.816231  0.337158  1
  Sm  Sm21  1  0.269588  0.366733  0.306364  1
  Sm  Sm22  1  0.325480  0.871653  0.339859  1
  Sm  Sm23  1  0.694062  0.423871  0.312132  1
  Sm  Sm24  1  0.938898  0.924389  0.332908  1
  Sm  Sm25  1  0.372884  0.978571  0.338725  1
  Sm  Sm26  1  0.116455  0.481311  0.317936  1
  Sm  Sm27  1  0.276868  0.037207  0.304577  1
  Sm  Sm28  1  0.559309  0.536871  0.320641  1
  Sm  Sm29  1  0.706636  0.094053  0.316361  1
  Sm  Sm30  1  0.176708  0.589610  0.313337  1
  Sm  Sm31  1  0.171521  0.146791  0.318515  1
  Sm  Sm32  1  0.608364  0.644840  0.318628  1
  Sm  Sm33  1  0.786656  0.199500  0.307242  1
  Sm  Sm34  1  0.033178  0.702017  0.324991  1
  Sm  Sm35  1  0.414790  0.252743  0.295362  1
  Sm  Sm36  1  0.458624  0.758898  0.331132  1
  Sm  Sm37  1  0.388398  0.312175  0.340544  1
  Sm  Sm38  1  0.410713  0.817278  0.377666  1
  Sm  Sm39  1  0.809747  0.369175  0.346263  1
  Sm  Sm40  1  0.844236  0.872653  0.381675  1
  Sm  Sm41  1  0.231203  0.425901  0.351989  1
  Sm  Sm42  1  0.483355  0.925378  0.373302  1
  Sm  Sm43  1  0.912829  0.980893  0.378605  1
  Sm  Sm44  1  0.647779  0.482859  0.358338  1
  Sm  Sm45  1  0.799508  0.035528  0.345631  1
  Sm  Sm46  1  0.079346  0.538364  0.362196  1
  Sm  Sm47  1  0.222448  0.092052  0.354546  1
  Sm  Sm48  1  0.721533  0.591420  0.352842  1
  Sm  Sm49  1  0.670102  0.148037  0.357864  1
  Sm  Sm50  1  0.148154  0.646612  0.358684  1
  Sm  Sm51  1  0.313858  0.203492  0.348542  1
  Sm  Sm52  1  0.570599  0.703587  0.364940  1
  Sm  Sm53  1  0.961828  0.257362  0.335518  1
  Sm  Sm54  1  0.993300  0.760327  0.371087  1
  Sm  Sm55  1  0.928865  0.314515  0.379907  1
  Sm  Sm56  1  0.948967  0.819101  0.416802  1
  Sm  Sm57  1  0.348831  0.371364  0.385608  1
  Sm  Sm58  1  0.376089  0.874295  0.422158  1
  Sm  Sm59  1  0.770155  0.428013  0.391264  1
  Sm  Sm60  1  0.027670  0.927168  0.411694  1
  Sm  Sm61  1  0.453570  0.982414  0.418561  1
  Sm  Sm62  1  0.186704  0.485062  0.397409  1
  Sm  Sm63  1  0.342140  0.037497  0.385462  1
  Sm  Sm64  1  0.612466  0.540308  0.402468  1
  Sm  Sm65  1  0.762593  0.094265  0.393731  1
  Sm  Sm66  1  0.265051  0.592968  0.391795  1
  Sm  Sm67  1  0.195042  0.149703  0.398668  1
  Sm  Sm68  1  0.688305  0.648520  0.397967  1
  Sm  Sm69  1  0.850842  0.204284  0.386953  1
  Sm  Sm70  1  0.109870  0.705457  0.404226  1
  Sm  Sm71  1  0.507310  0.259211  0.374595  1
  Sm  Sm72  1  0.531878  0.762108  0.410311  1
  Sm  Sm73  1  0.466455  0.316244  0.419900  1
  Sm  Sm74  1  0.488371  0.820771  0.456608  1
  Sm  Sm75  1  0.885936  0.373224  0.425675  1
  Sm  Sm76  1  0.912367  0.876010  0.462167  1
  Sm  Sm77  1  0.307410  0.429998  0.431202  1
  Sm  Sm78  1  0.567793  0.928503  0.451990  1
  Sm  Sm79  1  0.991442  0.983672  0.458669  1
  Sm  Sm80  1  0.725920  0.486984  0.437261  1
  Sm  Sm81  1  0.880056  0.039038  0.425573  1
  Sm  Sm82  1  0.148697  0.542209  0.442604  1
  Sm  Sm83  1  0.299536  0.095756  0.433095  1
  Sm  Sm84  1  0.803834  0.594682  0.431822  1
  Sm  Sm85  1  0.726833  0.151326  0.438270  1
  Sm  Sm86  1  0.226421  0.649992  0.437873  1
  Sm  Sm87  1  0.388321  0.206393  0.426809  1
  Sm  Sm88  1  0.647426  0.707055  0.444233  1
  Sm  Sm89  1  0.044830  0.260845  0.414727  1
  Sm  Sm90  1  0.069399  0.763821  0.450215  1
  Sm  Sm91  1  1.003549  0.317985  0.459677  1
  Sm  Sm92  1  0.026289  0.822366  0.496409  1
  Sm  Sm93  1  0.422122  0.375002  0.465471  1
  Sm  Sm94  1  0.449944  0.877605  0.502298  1
  Sm  Sm95  1  0.843730  0.431730  0.471083  1
  Sm  Sm96  1  0.105649  0.930018  0.491881  1
  Sm  Sm97  1  0.529296  0.985190  0.498624  1
  Sm  Sm98  1  0.263547  0.488785  0.477084  1
  Sm  Sm99  1  0.416662  0.040571  0.465683  1
  Sm  Sm100  1  0.685940  0.543967  0.482681  1
  Sm  Sm101  1  0.837605  0.097555  0.472780  1
  Sm  Sm102  1  0.341151  0.596322  0.471915  1
  Sm  Sm103  1  0.262835  0.153074  0.478197  1
  Sm  Sm104  1  0.763836  0.651520  0.477736  1
  Sm  Sm105  1  0.923353  0.207866  0.466404  1
  Sm  Sm106  1  0.184018  0.708586  0.484048  1
  Sm  Sm107  1  0.580839  0.262730  0.454819  1
  Sm  Sm108  1  0.606006  0.765330  0.490101  1
  Sm  Sm109  1  0.540486  0.319817  0.499428  1
  Sm  Sm110  1  0.563488  0.823833  0.536267  1
  Sm  Sm111  1  0.958144  0.376688  0.505354  1
  Sm  Sm112  1  0.986617  0.878969  0.542130  1
  Sm  Sm113  1  0.379938  0.433409  0.510935  1
  Sm  Sm114  1  0.644025  0.931645  0.532118  1
  Sm  Sm115  1  0.066938  0.986878  0.538659  1
  Sm  Sm116  1  0.800768  0.490424  0.516963  1
  Sm  Sm117  1  0.953416  0.042173  0.505571  1
  Sm  Sm118  1  0.223179  0.545635  0.522776  1
  Sm  Sm119  1  0.374884  0.099179  0.512362  1
  Sm  Sm120  1  0.878452  0.598023  0.511994  1
  Sm  Sm121  1  0.798310  0.154693  0.518114  1
  Sm  Sm122  1  0.301681  0.653203  0.517547  1
  Sm  Sm123  1  0.459591  0.209627  0.506167  1
  Sm  Sm124  1  0.720620  0.710117  0.523963  1
  Sm  Sm125  1  0.116121  0.264449  0.494749  1
  Sm  Sm126  1  0.142458  0.766813  0.529933  1
  Sm  Sm127  1  0.078098  0.321606  0.539241  1
  Sm  Sm128  1  0.101358  0.825067  0.576130  1
  Sm  Sm129  1  0.495223  0.378597  0.545208  1
  Sm  Sm130  1  0.524401  0.880824  0.582349  1
  Sm  Sm131  1  0.917302  0.435186  0.550919  1
  Sm  Sm132  1  0.179469  0.933326  0.571927  1
  Sm  Sm133  1  0.605087  0.988444  0.578550  1
  Sm  Sm134  1  0.338817  0.491992  0.556877  1
  Sm  Sm135  1  0.489858  0.043674  0.545667  1
  Sm  Sm136  1  0.762138  0.547388  0.562812  1
  Sm  Sm137  1  0.912731  0.100547  0.552328  1
  Sm  Sm138  1  0.414458  0.599840  0.552126  1
  Sm  Sm139  1  0.334697  0.156308  0.558144  1
  Sm  Sm140  1  0.840995  0.654915  0.557396  1
  Sm  Sm141  1  0.997203  0.211466  0.545751  1
  Sm  Sm142  1  0.258099  0.711883  0.563903  1
  Sm  Sm143  1  0.649650  0.266261  0.534881  1
  Sm  Sm144  1  0.679660  0.768401  0.570018  1
  Sm  Sm145  1  0.615002  0.323797  0.578266  1
  Sm  Sm146  1  0.639814  0.826911  0.615617  1
  Sm  Sm147  1  0.033746  0.380572  0.584381  1
  Sm  Sm148  1  0.065895  0.881186  0.620590  1
  Sm  Sm149  1  0.456336  0.437145  0.590252  1
  Sm  Sm150  1  0.715861  0.935246  0.612294  1
  Sm  Sm151  1  0.146661  0.991090  0.618283  1
  Sm  Sm152  1  0.878691  0.493995  0.596230  1
  Sm  Sm153  1  0.028472  0.045446  0.585529  1
  Sm  Sm154  1  0.305902  0.548853  0.601699  1
  Sm  Sm155  1  0.453483  0.102690  0.591292  1
  Sm  Sm156  1  0.947070  0.601648  0.592564  1
  Sm  Sm157  1  0.878667  0.158297  0.597309  1
  Sm  Sm158  1  0.379754  0.656914  0.596507  1
  Sm  Sm159  1  0.534292  0.212612  0.584574  1
  Sm  Sm160  1  0.797006  0.713667  0.603181  1
  Sm  Sm161  1  0.179848  0.268053  0.575192  1
  Sm  Sm162  1  0.218639  0.770294  0.609486  1
  Sm  Sm163  1  0.141403  0.324873  0.618852  1
  Sm  Sm164  1  0.181724  0.829363  0.656152  1
  Sm  Sm165  1  0.566809  0.381864  0.624541  1
  Sm  Sm166  1  0.613418  0.883420  0.660315  1
  Sm  Sm167  1  0.992318  0.438688  0.630284  1
  Sm  Sm168  1  0.229949  0.934933  0.651492  1
  Sm  Sm169  1  0.669590  0.990842  0.658482  1
  Sm  Sm170  1  0.417694  0.495770  0.636405  1
  Sm  Sm171  1  0.568318  0.048024  0.625048  1
  Sm  Sm172  1  0.850182  0.550779  0.641430  1
  Sm  Sm173  1  0.994090  0.104799  0.631332  1
  Sm  Sm174  1  0.464968  0.602935  0.634285  1
  Sm  Sm175  1  0.427251  0.159584  0.636523  1
  Sm  Sm176  1  0.909167  0.657973  0.637073  1
  Sm  Sm177  1  0.068478  0.214521  0.624872  1
  Sm  Sm178  1  0.332674  0.715233  0.643168  1
  Sm  Sm179  1  0.693425  0.269586  0.616238  1
  Sm  Sm180  1  0.757118  0.771983  0.649397  1
  Sm  Sm181  1  0.645250  0.323773  0.661732  1
  Sm  Sm182  1  0.706782  0.828217  0.697354  1
  Sm  Sm183  1  0.079406  0.380631  0.666332  1
  Sm  Sm184  1  0.142468  0.887426  0.703517  1
  Sm  Sm185  1  0.507973  0.437495  0.671971  1
  Sm  Sm186  1  0.705930  0.935877  0.700734  1
  Sm  Sm187  1  0.186364  0.981281  0.701343  1
  Sm  Sm188  1  0.937782  0.494514  0.678044  1
  Sm  Sm189  1  0.084804  0.046522  0.667711  1
  Sm  Sm190  1  0.379860  0.551220  0.684432  1
  Sm  Sm191  1  0.515659  0.103236  0.673445  1
  Sm  Sm192  1  0.954915  0.604273  0.680780  1
  Sm  Sm193  1  0.961338  0.161165  0.678144  1
  Sm  Sm194  1  0.417688  0.657305  0.679656  1
  Sm  Sm195  1  0.587286  0.218097  0.666771  1
  Sm  Sm196  1  0.848806  0.714126  0.684764  1
  Sm  Sm197  1  0.174351  0.271099  0.662446  1
  Sm  Sm198  1  0.275605  0.771208  0.690844  1
