# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13694383
_cell_length_b   26.59603993
_cell_length_c   48.54633379
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.90969065
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm99
_cell_volume   7866.10564628
_cell_formula_units_Z   99
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  0.268440  0.605032  0.284348  1
  Sm  Sm2  1  0.870799  0.706289  0.282805  1
  Sm  Sm3  1  0.518929  0.821243  0.274491  1
  Sm  Sm4  1  0.994190  0.932550  0.281664  1
  Sm  Sm5  1  0.902993  0.056902  0.252164  1
  Sm  Sm6  1  0.375381  0.165166  0.259846  1
  Sm  Sm7  1  0.832690  0.278888  0.267907  1
  Sm  Sm8  1  0.291294  0.391266  0.276175  1
  Sm  Sm9  1  0.759589  0.504554  0.282988  1
  Sm  Sm10  1  0.735800  0.605000  0.331987  1
  Sm  Sm11  1  0.387866  0.714087  0.325601  1
  Sm  Sm12  1  0.052398  0.821555  0.316549  1
  Sm  Sm13  1  0.518601  0.932123  0.322844  1
  Sm  Sm14  1  0.431617  0.045574  0.292492  1
  Sm  Sm15  1  0.887570  0.159904  0.301672  1
  Sm  Sm16  1  0.342154  0.271722  0.309629  1
  Sm  Sm17  1  0.796755  0.384701  0.317854  1
  Sm  Sm18  1  0.254277  0.496552  0.326434  1
  Sm  Sm19  1  0.244022  0.605302  0.372587  1
  Sm  Sm20  1  0.917878  0.715938  0.366012  1
  Sm  Sm21  1  0.601262  0.825033  0.355605  1
  Sm  Sm22  1  0.058953  0.934819  0.362894  1
  Sm  Sm23  1  0.967274  0.045037  0.331780  1
  Sm  Sm24  1  0.419814  0.157824  0.341029  1
  Sm  Sm25  1  0.872809  0.270799  0.349625  1
  Sm  Sm26  1  0.325522  0.382689  0.358184  1
  Sm  Sm27  1  0.776853  0.494977  0.367007  1
  Sm  Sm28  1  0.772322  0.606155  0.412957  1
  Sm  Sm29  1  0.454166  0.715575  0.404542  1
  Sm  Sm30  1  0.143759  0.825759  0.394752  1
  Sm  Sm31  1  0.594977  0.935341  0.402764  1
  Sm  Sm32  1  0.508665  0.047110  0.371632  1
  Sm  Sm33  1  0.959870  0.159232  0.380133  1
  Sm  Sm34  1  0.411613  0.271601  0.388780  1
  Sm  Sm35  1  0.864468  0.383831  0.397189  1
  Sm  Sm36  1  0.313940  0.496626  0.405902  1
  Sm  Sm37  1  0.304853  0.606969  0.452875  1
  Sm  Sm38  1  0.991567  0.716643  0.444031  1
  Sm  Sm39  1  0.679430  0.826111  0.434756  1
  Sm  Sm40  1  0.130214  0.935784  0.442659  1
  Sm  Sm41  1  0.045142  0.047950  0.411514  1
  Sm  Sm42  1  0.497009  0.160033  0.420028  1
  Sm  Sm43  1  0.949094  0.272361  0.428548  1
  Sm  Sm44  1  0.401896  0.384752  0.436943  1
  Sm  Sm45  1  0.851172  0.497285  0.445591  1
  Sm  Sm46  1  0.839823  0.607511  0.492689  1
  Sm  Sm47  1  0.527447  0.717377  0.483645  1
  Sm  Sm48  1  0.214375  0.826988  0.474557  1
  Sm  Sm49  1  0.665845  0.936429  0.482558  1
  Sm  Sm50  1  0.580934  0.048426  0.451483  1
  Sm  Sm51  1  0.033359  0.160691  0.459925  1
  Sm  Sm52  1  0.485386  0.273015  0.468369  1
  Sm  Sm53  1  0.937838  0.385249  0.476723  1
  Sm  Sm54  1  0.387781  0.498101  0.485205  1
  Sm  Sm55  1  0.375514  0.608383  0.532584  1
  Sm  Sm56  1  0.062345  0.717574  0.523030  1
  Sm  Sm57  1  0.749561  0.827754  0.514574  1
  Sm  Sm58  1  0.200900  0.937420  0.522396  1
  Sm  Sm59  1  0.116650  0.049222  0.491249  1
  Sm  Sm60  1  0.569544  0.161378  0.499630  1
  Sm  Sm61  1  1.021451  0.273524  0.508175  1
  Sm  Sm62  1  0.473815  0.385844  0.516478  1
  Sm  Sm63  1  0.924513  0.498614  0.524914  1
  Sm  Sm64  1  0.911777  0.608534  0.572598  1
  Sm  Sm65  1  0.599198  0.719516  0.562850  1
  Sm  Sm66  1  0.281119  0.828526  0.554215  1
  Sm  Sm67  1  0.735985  0.937871  0.562322  1
  Sm  Sm68  1  0.651621  0.049692  0.531310  1
  Sm  Sm69  1  0.106179  0.161814  0.539737  1
  Sm  Sm70  1  0.558480  0.274416  0.548111  1
  Sm  Sm71  1  1.010943  0.386595  0.556424  1
  Sm  Sm72  1  0.461774  0.499080  0.564736  1
  Sm  Sm73  1  0.457348  0.608736  0.611457  1
  Sm  Sm74  1  0.134447  0.716874  0.600988  1
  Sm  Sm75  1  0.813852  0.829711  0.594891  1
  Sm  Sm76  1  0.273730  0.941032  0.601748  1
  Sm  Sm77  1  0.189087  0.051010  0.571000  1
  Sm  Sm78  1  0.645876  0.164019  0.578717  1
  Sm  Sm79  1  0.098654  0.276115  0.587275  1
  Sm  Sm80  1  0.550707  0.388006  0.595721  1
  Sm  Sm81  1  1.002135  0.500545  0.604064  1
  Sm  Sm82  1  1.008958  0.613252  0.651690  1
  Sm  Sm83  1  0.667351  0.718499  0.641363  1
  Sm  Sm84  1  0.319345  0.827272  0.632640  1
  Sm  Sm85  1  0.788266  0.937783  0.642283  1
  Sm  Sm86  1  0.727065  0.053483  0.610442  1
  Sm  Sm87  1  0.182492  0.164737  0.618943  1
  Sm  Sm88  1  0.636349  0.276734  0.627388  1
  Sm  Sm89  1  0.089890  0.389342  0.635681  1
  Sm  Sm90  1  0.545532  0.502119  0.644046  1
  Sm  Sm91  1  0.534674  0.613124  0.692665  1
  Sm  Sm92  1  0.186392  0.733797  0.684792  1
  Sm  Sm93  1  0.770034  0.826220  0.682596  1
  Sm  Sm94  1  0.285251  0.912962  0.684759  1
  Sm  Sm95  1  0.237594  0.045862  0.653528  1
  Sm  Sm96  1  0.693347  0.158406  0.660853  1
  Sm  Sm97  1  0.150086  0.271601  0.668803  1
  Sm  Sm98  1  0.606957  0.384806  0.676986  1
  Sm  Sm99  1  0.066692  0.498958  0.685110  1
