# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46678563
_cell_length_b   53.95677265
_cell_length_c   50.09672224
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   88.02402900
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm126
_cell_volume   9365.34854591
_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  0.149680  0.792266  0.292305  1
  Sm  Sm2  1  0.896202  0.300595  0.259766  1
  Sm  Sm3  1  0.619470  0.852297  0.273839  1
  Sm  Sm4  1  0.365520  0.361496  0.241839  1
  Sm  Sm5  1  0.591332  0.912183  0.254472  1
  Sm  Sm6  1  0.844531  0.404598  0.288527  1
  Sm  Sm7  1  0.313954  0.464455  0.270745  1
  Sm  Sm8  1  0.568052  0.957002  0.303204  1
  Sm  Sm9  1  0.783327  0.525341  0.252761  1
  Sm  Sm10  1  0.037526  0.017094  0.284963  1
  Sm  Sm11  1  0.262353  0.568485  0.299403  1
  Sm  Sm12  1  1.010698  0.076146  0.265346  1
  Sm  Sm13  1  0.731801  0.628337  0.281568  1
  Sm  Sm14  1  0.478948  0.136928  0.249038  1
  Sm  Sm15  1  0.201206  0.689220  0.263546  1
  Sm  Sm16  1  0.947991  0.197699  0.230810  1
  Sm  Sm17  1  0.680238  0.732405  0.310156  1
  Sm  Sm18  1  0.426853  0.240726  0.277517  1
  Sm  Sm19  1  0.658041  0.776966  0.358881  1
  Sm  Sm20  1  0.404438  0.285184  0.326319  1
  Sm  Sm21  1  0.127747  0.837197  0.340809  1
  Sm  Sm22  1  0.873837  0.345411  0.308296  1
  Sm  Sm23  1  0.098857  0.896442  0.320961  1
  Sm  Sm24  1  0.352928  0.388643  0.354795  1
  Sm  Sm25  1  0.822197  0.449091  0.337313  1
  Sm  Sm26  1  0.076441  0.941190  0.369707  1
  Sm  Sm27  1  0.291621  0.509308  0.319231  1
  Sm  Sm28  1  0.546011  0.001596  0.352001  1
  Sm  Sm29  1  0.770725  0.552575  0.365685  1
  Sm  Sm30  1  0.517377  0.060900  0.332235  1
  Sm  Sm31  1  0.240024  0.613014  0.348145  1
  Sm  Sm32  1  0.986802  0.121247  0.315178  1
  Sm  Sm33  1  0.709488  0.673227  0.330019  1
  Sm  Sm34  1  0.456236  0.181511  0.297297  1
  Sm  Sm35  1  0.188641  0.716530  0.376439  1
  Sm  Sm36  1  0.935228  0.224715  0.343747  1
  Sm  Sm37  1  0.166325  0.761044  0.425355  1
  Sm  Sm38  1  0.912811  0.269139  0.392765  1
  Sm  Sm39  1  0.635833  0.821438  0.407558  1
  Sm  Sm40  1  0.382130  0.329524  0.375097  1
  Sm  Sm41  1  0.607063  0.880650  0.387249  1
  Sm  Sm42  1  0.861273  0.372723  0.421350  1
  Sm  Sm43  1  0.330567  0.433101  0.403781  1
  Sm  Sm44  1  0.584686  0.925181  0.436208  1
  Sm  Sm45  1  0.799895  0.493471  0.386047  1
  Sm  Sm46  1  0.054238  0.985548  0.418687  1
  Sm  Sm47  1  0.279041  0.536703  0.432258  1
  Sm  Sm48  1  1.025589  0.044735  0.398661  1
  Sm  Sm49  1  0.748363  0.597066  0.414626  1
  Sm  Sm50  1  0.495065  0.105163  0.381479  1
  Sm  Sm51  1  0.217723  0.657428  0.396839  1
  Sm  Sm52  1  0.964424  0.165566  0.364009  1
  Sm  Sm53  1  0.696916  0.700685  0.443013  1
  Sm  Sm54  1  0.443539  0.208743  0.410267  1
  Sm  Sm55  1  0.674572  0.745155  0.491873  1
  Sm  Sm56  1  0.421154  0.253137  0.459230  1
  Sm  Sm57  1  0.144050  0.805518  0.474116  1
  Sm  Sm58  1  0.890464  0.313536  0.441670  1
  Sm  Sm59  1  0.115216  0.864749  0.453708  1
  Sm  Sm60  1  0.369619  0.356762  0.487891  1
  Sm  Sm61  1  0.838912  0.417157  0.470272  1
  Sm  Sm62  1  0.092922  0.909209  0.502650  1
  Sm  Sm63  1  0.308217  0.477538  0.452641  1
  Sm  Sm64  1  0.562469  0.969547  0.485298  1
  Sm  Sm65  1  0.787353  0.520801  0.498820  1
  Sm  Sm66  1  0.533735  0.028700  0.465206  1
  Sm  Sm67  1  0.256669  0.581173  0.481134  1
  Sm  Sm68  1  1.003263  0.089082  0.447873  1
  Sm  Sm69  1  0.725998  0.641534  0.463440  1
  Sm  Sm70  1  0.472654  0.149506  0.430497  1
  Sm  Sm71  1  0.205152  0.684817  0.509580  1
  Sm  Sm72  1  0.951852  0.192718  0.476761  1
  Sm  Sm73  1  0.182729  0.729331  0.558443  1
  Sm  Sm74  1  0.929509  0.237122  0.525685  1
  Sm  Sm75  1  0.652211  0.789589  0.540673  1
  Sm  Sm76  1  0.398807  0.297544  0.508197  1
  Sm  Sm77  1  0.623433  0.848774  0.520142  1
  Sm  Sm78  1  0.877967  0.340784  0.554452  1
  Sm  Sm79  1  0.347260  0.401208  0.536755  1
  Sm  Sm80  1  0.601145  0.893200  0.568984  1
  Sm  Sm81  1  0.816542  0.461610  0.519193  1
  Sm  Sm82  1  0.070623  0.953568  0.551892  1
  Sm  Sm83  1  0.295659  0.504895  0.565403  1
  Sm  Sm84  1  0.041972  0.012658  0.531818  1
  Sm  Sm85  1  0.764962  0.565294  0.547640  1
  Sm  Sm86  1  0.511527  0.073039  0.514305  1
  Sm  Sm87  1  0.234254  0.625661  0.530006  1
  Sm  Sm88  1  0.980936  0.133460  0.496957  1
  Sm  Sm89  1  0.713322  0.668993  0.576160  1
  Sm  Sm90  1  0.460183  0.176680  0.543283  1
  Sm  Sm91  1  0.690861  0.713572  0.624869  1
  Sm  Sm92  1  0.437900  0.221046  0.592103  1
  Sm  Sm93  1  0.160291  0.773685  0.607329  1
  Sm  Sm94  1  0.907158  0.281572  0.574723  1
  Sm  Sm95  1  0.131656  0.832753  0.586580  1
  Sm  Sm96  1  0.386270  0.324885  0.621204  1
  Sm  Sm97  1  0.855636  0.385199  0.603201  1
  Sm  Sm98  1  0.109481  0.877269  0.635095  1
  Sm  Sm99  1  0.324871  0.445708  0.585742  1
  Sm  Sm100  1  0.578899  0.937472  0.618363  1
  Sm  Sm101  1  0.803922  0.489072  0.632175  1
  Sm  Sm102  1  0.550124  0.996663  0.598633  1
  Sm  Sm103  1  0.273280  0.549366  0.614104  1
  Sm  Sm104  1  1.019847  0.056940  0.580737  1
  Sm  Sm105  1  0.742492  0.609851  0.596582  1
  Sm  Sm106  1  0.489254  0.117453  0.563447  1
  Sm  Sm107  1  0.221402  0.653306  0.642895  1
  Sm  Sm108  1  0.968486  0.160720  0.610011  1
  Sm  Sm109  1  0.198687  0.698174  0.690979  1
  Sm  Sm110  1  0.946204  0.205546  0.658596  1
  Sm  Sm111  1  0.667016  0.759067  0.674783  1
  Sm  Sm112  1  0.415576  0.265546  0.640956  1
  Sm  Sm113  1  0.639831  0.816967  0.653231  1
  Sm  Sm114  1  0.894585  0.308804  0.687583  1
  Sm  Sm115  1  0.363907  0.369773  0.669717  1
  Sm  Sm116  1  0.618516  0.860639  0.700911  1
  Sm  Sm117  1  0.833259  0.429753  0.651996  1
  Sm  Sm118  1  0.086103  0.921811  0.685276  1
  Sm  Sm119  1  0.312201  0.473062  0.698572  1
  Sm  Sm120  1  0.058515  0.981219  0.665655  1
  Sm  Sm121  1  0.781493  0.534015  0.680635  1
  Sm  Sm122  1  0.528303  0.041357  0.647270  1
  Sm  Sm123  1  0.250802  0.593986  0.662842  1
  Sm  Sm124  1  0.997723  0.101376  0.629664  1
  Sm  Sm125  1  0.729572  0.637358  0.709334  1
  Sm  Sm126  1  0.476836  0.144556  0.676371  1
