# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.57780823
_cell_length_b   30.02166071
_cell_length_c   48.35506378
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.79197879
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm252
_cell_volume   19508.9815424
_cell_formula_units_Z   252
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  0.131154  0.731811  0.307632  1
  Sm  Sm2  1  0.797821  0.565144  0.307632  1
  Sm  Sm3  1  0.887567  0.750882  0.264777  1
  Sm  Sm4  1  0.131154  0.231811  0.307632  1
  Sm  Sm5  1  0.220901  0.417549  0.264777  1
  Sm  Sm6  1  0.139561  0.556496  0.285408  1
  Sm  Sm7  1  0.464487  0.398477  0.307632  1
  Sm  Sm8  1  0.554234  0.584216  0.264777  1
  Sm  Sm9  1  0.472895  0.723163  0.285408  1
  Sm  Sm10  1  0.797821  0.065144  0.307632  1
  Sm  Sm11  1  0.887567  0.250882  0.264777  1
  Sm  Sm12  1  0.806228  0.389829  0.285408  1
  Sm  Sm13  1  0.220901  0.917549  0.264777  1
  Sm  Sm14  1  0.139561  0.056496  0.285408  1
  Sm  Sm15  1  0.464487  0.898477  0.307632  1
  Sm  Sm16  1  0.554234  0.084216  0.264777  1
  Sm  Sm17  1  0.472895  0.223163  0.285408  1
  Sm  Sm18  1  0.806228  0.889829  0.285408  1
  Sm  Sm19  1  0.054234  0.834216  0.264777  1
  Sm  Sm20  1  0.720901  0.667549  0.264777  1
  Sm  Sm21  1  0.639561  0.806496  0.285408  1
  Sm  Sm22  1  0.054234  0.334216  0.264777  1
  Sm  Sm23  1  0.972895  0.473163  0.285408  1
  Sm  Sm24  1  0.964487  0.648477  0.307632  1
  Sm  Sm25  1  0.387567  0.500882  0.264777  1
  Sm  Sm26  1  0.306228  0.639829  0.285408  1
  Sm  Sm27  1  0.297821  0.815144  0.307632  1
  Sm  Sm28  1  0.720901  0.167549  0.264777  1
  Sm  Sm29  1  0.639561  0.306496  0.285408  1
  Sm  Sm30  1  0.631154  0.481811  0.307632  1
  Sm  Sm31  1  0.972895  0.973163  0.285408  1
  Sm  Sm32  1  0.964487  0.148477  0.307632  1
  Sm  Sm33  1  0.387567  1.000882  0.264777  1
  Sm  Sm34  1  0.306228  0.139829  0.285408  1
  Sm  Sm35  1  0.297821  0.315144  0.307632  1
  Sm  Sm36  1  0.631154  0.981811  0.307632  1
  Sm  Sm37  1  0.983241  0.701641  0.375503  1
  Sm  Sm38  1  0.649908  0.534974  0.375503  1
  Sm  Sm39  1  0.736176  0.716419  0.332094  1
  Sm  Sm40  1  0.983241  0.201641  0.375503  1
  Sm  Sm41  1  0.069509  0.383086  0.332094  1
  Sm  Sm42  1  0.021400  0.540707  0.353670  1
  Sm  Sm43  1  0.316574  0.368307  0.375503  1
  Sm  Sm44  1  0.402842  0.549753  0.332094  1
  Sm  Sm45  1  0.354733  0.707373  0.353670  1
  Sm  Sm46  1  0.649908  0.034974  0.375503  1
  Sm  Sm47  1  0.736176  0.216419  0.332094  1
  Sm  Sm48  1  0.688066  0.374040  0.353670  1
  Sm  Sm49  1  0.069509  0.883086  0.332094  1
  Sm  Sm50  1  0.021400  0.040707  0.353670  1
  Sm  Sm51  1  0.316574  0.868307  0.375503  1
  Sm  Sm52  1  0.402842  0.049753  0.332094  1
  Sm  Sm53  1  0.354733  0.207373  0.353670  1
  Sm  Sm54  1  0.688066  0.874040  0.353670  1
  Sm  Sm55  1  0.902842  0.799753  0.332094  1
  Sm  Sm56  1  0.569509  0.633086  0.332094  1
  Sm  Sm57  1  0.521400  0.790707  0.353670  1
  Sm  Sm58  1  0.902842  0.299753  0.332094  1
  Sm  Sm59  1  0.854733  0.457373  0.353670  1
  Sm  Sm60  1  0.816574  0.618307  0.375503  1
  Sm  Sm61  1  0.236176  0.466419  0.332094  1
  Sm  Sm62  1  0.188066  0.624040  0.353670  1
  Sm  Sm63  1  0.149908  0.784974  0.375503  1
  Sm  Sm64  1  0.569509  0.133086  0.332094  1
  Sm  Sm65  1  0.521400  0.290707  0.353670  1
  Sm  Sm66  1  0.483241  0.451641  0.375503  1
  Sm  Sm67  1  0.854733  0.957373  0.353670  1
  Sm  Sm68  1  0.816574  0.118307  0.375503  1
  Sm  Sm69  1  0.236176  0.966419  0.332094  1
  Sm  Sm70  1  0.188066  0.124040  0.353670  1
  Sm  Sm71  1  0.149908  0.284974  0.375503  1
  Sm  Sm72  1  0.483241  0.951641  0.375503  1
  Sm  Sm73  1  0.841558  0.675844  0.442708  1
  Sm  Sm74  1  0.508225  0.509177  0.442708  1
  Sm  Sm75  1  0.598596  0.691695  0.398711  1
  Sm  Sm76  1  0.841558  0.175844  0.442708  1
  Sm  Sm77  1  0.931929  0.358362  0.398711  1
  Sm  Sm78  1  0.885448  0.516736  0.420843  1
  Sm  Sm79  1  0.174891  0.342510  0.442708  1
  Sm  Sm80  1  0.265263  0.525029  0.398711  1
  Sm  Sm81  1  0.218782  0.683402  0.420843  1
  Sm  Sm82  1  0.508225  0.009177  0.442708  1
  Sm  Sm83  1  0.598596  0.191695  0.398711  1
  Sm  Sm84  1  0.552115  0.350069  0.420843  1
  Sm  Sm85  1  0.931929  0.858362  0.398711  1
  Sm  Sm86  1  0.885448  0.016736  0.420843  1
  Sm  Sm87  1  0.174891  0.842510  0.442708  1
  Sm  Sm88  1  0.265263  0.025029  0.398711  1
  Sm  Sm89  1  0.218782  0.183402  0.420843  1
  Sm  Sm90  1  0.552115  0.850069  0.420843  1
  Sm  Sm91  1  0.765263  0.775029  0.398711  1
  Sm  Sm92  1  0.431929  0.608362  0.398711  1
  Sm  Sm93  1  0.385448  0.766736  0.420843  1
  Sm  Sm94  1  0.765263  0.275029  0.398711  1
  Sm  Sm95  1  0.718782  0.433402  0.420843  1
  Sm  Sm96  1  0.674891  0.592510  0.442708  1
  Sm  Sm97  1  0.098596  0.441695  0.398711  1
  Sm  Sm98  1  0.052115  0.600069  0.420843  1
  Sm  Sm99  1  1.008225  0.759177  0.442708  1
  Sm  Sm100  1  0.431929  0.108362  0.398711  1
  Sm  Sm101  1  0.385448  0.266736  0.420843  1
  Sm  Sm102  1  0.341558  0.425844  0.442708  1
  Sm  Sm103  1  0.718782  0.933402  0.420843  1
  Sm  Sm104  1  0.674891  0.092510  0.442708  1
  Sm  Sm105  1  0.098596  0.941695  0.398711  1
  Sm  Sm106  1  0.052115  0.100069  0.420843  1
  Sm  Sm107  1  1.008225  0.259177  0.442708  1
  Sm  Sm108  1  0.341558  0.925844  0.442708  1
  Sm  Sm109  1  0.701714  0.650821  0.509858  1
  Sm  Sm110  1  0.368381  0.484154  0.509858  1
  Sm  Sm111  1  0.459362  0.666803  0.465718  1
  Sm  Sm112  1  0.701714  0.150821  0.509858  1
  Sm  Sm113  1  0.792695  0.333470  0.465718  1
  Sm  Sm114  1  0.747204  0.492145  0.487788  1
  Sm  Sm115  1  0.035047  0.317487  0.509858  1
  Sm  Sm116  1  0.126028  0.500137  0.465718  1
  Sm  Sm117  1  0.080538  0.658812  0.487788  1
  Sm  Sm118  1  0.368381  0.984154  0.509858  1
  Sm  Sm119  1  0.459362  0.166803  0.465718  1
  Sm  Sm120  1  0.413871  0.325479  0.487788  1
  Sm  Sm121  1  0.792695  0.833470  0.465718  1
  Sm  Sm122  1  0.747204  0.992145  0.487788  1
  Sm  Sm123  1  0.035047  0.817487  0.509858  1
  Sm  Sm124  1  0.126028  1.000137  0.465718  1
  Sm  Sm125  1  0.080538  0.158812  0.487788  1
  Sm  Sm126  1  0.413871  0.825479  0.487788  1
  Sm  Sm127  1  0.626028  0.750137  0.465718  1
  Sm  Sm128  1  0.292695  0.583470  0.465718  1
  Sm  Sm129  1  0.247204  0.742145  0.487788  1
  Sm  Sm130  1  0.626028  0.250137  0.465718  1
  Sm  Sm131  1  0.580538  0.408812  0.487788  1
  Sm  Sm132  1  0.535047  0.567487  0.509858  1
  Sm  Sm133  1  0.959362  0.416803  0.465718  1
  Sm  Sm134  1  0.913871  0.575479  0.487788  1
  Sm  Sm135  1  0.868381  0.734154  0.509858  1
  Sm  Sm136  1  0.292695  0.083470  0.465718  1
  Sm  Sm137  1  0.247204  0.242145  0.487788  1
  Sm  Sm138  1  0.201714  0.400821  0.509858  1
  Sm  Sm139  1  0.580538  0.908812  0.487788  1
  Sm  Sm140  1  0.535047  0.067487  0.509858  1
  Sm  Sm141  1  0.959362  0.916803  0.465718  1
  Sm  Sm142  1  0.913871  0.075479  0.487788  1
  Sm  Sm143  1  0.868381  0.234154  0.509858  1
  Sm  Sm144  1  0.201714  0.900821  0.509858  1
  Sm  Sm145  1  0.562479  0.625929  0.576865  1
  Sm  Sm146  1  0.229146  0.459262  0.576865  1
  Sm  Sm147  1  0.319518  0.641780  0.532868  1
  Sm  Sm148  1  0.562479  0.125929  0.576865  1
  Sm  Sm149  1  0.652851  0.308447  0.532868  1
  Sm  Sm150  1  0.608960  0.467555  0.554733  1
  Sm  Sm151  1  0.895813  0.292595  0.576865  1
  Sm  Sm152  1  0.986184  0.475114  0.532868  1
  Sm  Sm153  1  0.942294  0.634222  0.554733  1
  Sm  Sm154  1  0.229146  0.959262  0.576865  1
  Sm  Sm155  1  0.319518  0.141780  0.532868  1
  Sm  Sm156  1  0.275627  0.300888  0.554733  1
  Sm  Sm157  1  0.652851  0.808447  0.532868  1
  Sm  Sm158  1  0.608960  0.967555  0.554733  1
  Sm  Sm159  1  0.895813  0.792595  0.576865  1
  Sm  Sm160  1  0.986184  0.975114  0.532868  1
  Sm  Sm161  1  0.942294  0.134222  0.554733  1
  Sm  Sm162  1  0.275627  0.800888  0.554733  1
  Sm  Sm163  1  0.486184  0.725114  0.532868  1
  Sm  Sm164  1  0.152851  0.558447  0.532868  1
  Sm  Sm165  1  0.108960  0.717555  0.554733  1
  Sm  Sm166  1  0.486184  0.225114  0.532868  1
  Sm  Sm167  1  0.442294  0.384222  0.554733  1
  Sm  Sm168  1  0.395813  0.542595  0.576865  1
  Sm  Sm169  1  0.819518  0.391780  0.532868  1
  Sm  Sm170  1  0.775627  0.550888  0.554733  1
  Sm  Sm171  1  0.729146  0.709262  0.576865  1
  Sm  Sm172  1  0.152851  0.058447  0.532868  1
  Sm  Sm173  1  0.108960  0.217555  0.554733  1
  Sm  Sm174  1  0.062479  0.375929  0.576865  1
  Sm  Sm175  1  0.442294  0.884222  0.554733  1
  Sm  Sm176  1  0.395813  0.042595  0.576865  1
  Sm  Sm177  1  0.819518  0.891780  0.532868  1
  Sm  Sm178  1  0.775627  0.050888  0.554733  1
  Sm  Sm179  1  0.729146  0.209262  0.576865  1
  Sm  Sm180  1  0.062479  0.875929  0.576865  1
  Sm  Sm181  1  0.424900  0.601205  0.643482  1
  Sm  Sm182  1  0.091567  0.434538  0.643482  1
  Sm  Sm183  1  0.177834  0.615983  0.600073  1
  Sm  Sm184  1  0.424900  0.101205  0.643482  1
  Sm  Sm185  1  0.511168  0.282650  0.600073  1
  Sm  Sm186  1  0.473009  0.443584  0.621906  1
  Sm  Sm187  1  0.758233  0.267871  0.643482  1
  Sm  Sm188  1  0.844501  0.449317  0.600073  1
  Sm  Sm189  1  0.806343  0.610251  0.621906  1
  Sm  Sm190  1  0.091567  0.934538  0.643482  1
  Sm  Sm191  1  0.177834  0.115983  0.600073  1
  Sm  Sm192  1  0.139676  0.276917  0.621906  1
  Sm  Sm193  1  0.511168  0.782650  0.600073  1
  Sm  Sm194  1  0.473009  0.943584  0.621906  1
  Sm  Sm195  1  0.758233  0.767871  0.643482  1
  Sm  Sm196  1  0.844501  0.949317  0.600073  1
  Sm  Sm197  1  0.806343  0.110251  0.621906  1
  Sm  Sm198  1  0.139676  0.776917  0.621906  1
  Sm  Sm199  1  0.344501  0.699317  0.600073  1
  Sm  Sm200  1  1.011168  0.532650  0.600073  1
  Sm  Sm201  1  0.973009  0.693584  0.621906  1
  Sm  Sm202  1  0.344501  0.199317  0.600073  1
  Sm  Sm203  1  0.306343  0.360251  0.621906  1
  Sm  Sm204  1  0.258233  0.517871  0.643482  1
  Sm  Sm205  1  0.677834  0.365983  0.600073  1
  Sm  Sm206  1  0.639676  0.526917  0.621906  1
  Sm  Sm207  1  0.591567  0.684538  0.643482  1
  Sm  Sm208  1  1.011168  0.032650  0.600073  1
  Sm  Sm209  1  0.973009  0.193584  0.621906  1
  Sm  Sm210  1  0.924900  0.351205  0.643482  1
  Sm  Sm211  1  0.306343  0.860251  0.621906  1
  Sm  Sm212  1  0.258233  0.017871  0.643482  1
  Sm  Sm213  1  0.677834  0.865983  0.600073  1
  Sm  Sm214  1  0.639676  0.026917  0.621906  1
  Sm  Sm215  1  0.591567  0.184538  0.643482  1
  Sm  Sm216  1  0.924900  0.851205  0.643482  1
  Sm  Sm217  1  0.273508  0.566742  0.710799  1
  Sm  Sm218  1  0.940175  0.400075  0.710799  1
  Sm  Sm219  1  0.029921  0.585813  0.667944  1
  Sm  Sm220  1  0.273508  0.066742  0.710799  1
  Sm  Sm221  1  0.363255  0.252480  0.667944  1
  Sm  Sm222  1  0.354848  0.427795  0.690168  1
  Sm  Sm223  1  0.606842  0.233408  0.710799  1
  Sm  Sm224  1  0.696588  0.419147  0.667944  1
  Sm  Sm225  1  0.688181  0.594461  0.690168  1
  Sm  Sm226  1  0.940175  0.900075  0.710799  1
  Sm  Sm227  1  0.029921  0.085813  0.667944  1
  Sm  Sm228  1  0.021514  0.261128  0.690168  1
  Sm  Sm229  1  0.363255  0.752480  0.667944  1
  Sm  Sm230  1  0.354848  0.927795  0.690168  1
  Sm  Sm231  1  0.606842  0.733408  0.710799  1
  Sm  Sm232  1  0.696588  0.919147  0.667944  1
  Sm  Sm233  1  0.688181  0.094461  0.690168  1
  Sm  Sm234  1  0.021514  0.761128  0.690168  1
  Sm  Sm235  1  0.196588  0.669147  0.667944  1
  Sm  Sm236  1  0.863255  0.502480  0.667944  1
  Sm  Sm237  1  0.854848  0.677795  0.690168  1
  Sm  Sm238  1  0.196588  0.169147  0.667944  1
  Sm  Sm239  1  0.188181  0.344461  0.690168  1
  Sm  Sm240  1  0.106842  0.483408  0.710799  1
  Sm  Sm241  1  0.529921  0.335813  0.667944  1
  Sm  Sm242  1  0.521514  0.511128  0.690168  1
  Sm  Sm243  1  0.440175  0.650075  0.710799  1
  Sm  Sm244  1  0.863255  0.002480  0.667944  1
  Sm  Sm245  1  0.854848  0.177795  0.690168  1
  Sm  Sm246  1  0.773508  0.316742  0.710799  1
  Sm  Sm247  1  0.188181  0.844461  0.690168  1
  Sm  Sm248  1  0.106842  0.983408  0.710799  1
  Sm  Sm249  1  0.529921  0.835813  0.667944  1
  Sm  Sm250  1  0.521514  0.011128  0.690168  1
  Sm  Sm251  1  0.440175  0.150075  0.710799  1
  Sm  Sm252  1  0.773508  0.816742  0.710799  1
