# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   36.29352253
_cell_length_b   7.68223397
_cell_length_c   48.74325320
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.37526409
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm168
_cell_volume   13524.9311258
_cell_formula_units_Z   168
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  0.733727  0.472071  0.318576  1
  Sm  Sm2  1  0.423854  0.448963  0.300971  1
  Sm  Sm3  1  0.734999  0.969997  0.319017  1
  Sm  Sm4  1  0.074658  0.394991  0.285435  1
  Sm  Sm5  1  0.416282  0.952849  0.303291  1
  Sm  Sm6  1  0.074760  0.894925  0.285437  1
  Sm  Sm7  1  0.905291  0.443441  0.304818  1
  Sm  Sm8  1  0.546513  0.407687  0.286027  1
  Sm  Sm9  1  0.905421  0.943245  0.304789  1
  Sm  Sm10  1  0.247265  0.493343  0.326460  1
  Sm  Sm11  1  0.580593  0.047593  0.342869  1
  Sm  Sm12  1  0.246942  0.994821  0.326682  1
  Sm  Sm13  1  0.992417  0.686761  0.308522  1
  Sm  Sm14  1  0.642098  0.651870  0.289199  1
  Sm  Sm15  1  0.992383  0.186783  0.308510  1
  Sm  Sm16  1  0.334380  0.739460  0.329108  1
  Sm  Sm17  1  0.644735  0.154911  0.288626  1
  Sm  Sm18  1  0.334624  0.245686  0.329237  1
  Sm  Sm19  1  0.816939  0.179900  0.297430  1
  Sm  Sm20  1  0.495681  0.289781  0.344265  1
  Sm  Sm21  1  0.816881  0.679532  0.297424  1
  Sm  Sm22  1  0.160254  0.236244  0.318215  1
  Sm  Sm23  1  0.497351  0.785179  0.338965  1
  Sm  Sm24  1  0.160417  0.736106  0.318340  1
  Sm  Sm25  1  0.757632  0.684780  0.382370  1
  Sm  Sm26  1  0.417912  0.625444  0.369346  1
  Sm  Sm27  1  0.757887  0.185521  0.382355  1
  Sm  Sm28  1  0.082793  0.580427  0.349623  1
  Sm  Sm29  1  0.417716  0.123889  0.369542  1
  Sm  Sm30  1  0.082703  0.080430  0.349634  1
  Sm  Sm31  1  0.921517  0.640225  0.367060  1
  Sm  Sm32  1  0.582467  0.549998  0.347967  1
  Sm  Sm33  1  0.921527  0.140366  0.367041  1
  Sm  Sm34  1  0.256245  0.702682  0.388845  1
  Sm  Sm35  1  0.594532  0.250942  0.408044  1
  Sm  Sm36  1  0.256872  0.202349  0.388809  1
  Sm  Sm37  1  0.005216  0.897391  0.371399  1
  Sm  Sm38  1  0.664323  0.818350  0.353751  1
  Sm  Sm39  1  0.005246  0.397484  0.371408  1
  Sm  Sm40  1  0.340896  0.953016  0.393368  1
  Sm  Sm41  1  0.664789  0.312933  0.353773  1
  Sm  Sm42  1  0.340384  0.453635  0.394281  1
  Sm  Sm43  1  0.835968  0.377368  0.359387  1
  Sm  Sm44  1  0.510534  0.505189  0.405008  1
  Sm  Sm45  1  0.836150  0.877398  0.359477  1
  Sm  Sm46  1  0.173687  0.437135  0.381858  1
  Sm  Sm47  1  0.510749  0.996884  0.403559  1
  Sm  Sm48  1  0.173483  0.937966  0.381928  1
  Sm  Sm49  1  0.772823  0.888898  0.446903  1
  Sm  Sm50  1  0.433434  0.828235  0.431395  1
  Sm  Sm51  1  0.772411  0.388654  0.446759  1
  Sm  Sm52  1  0.097142  0.770730  0.410820  1
  Sm  Sm53  1  0.434424  0.326499  0.430475  1
  Sm  Sm54  1  0.097210  0.270971  0.410833  1
  Sm  Sm55  1  0.935426  0.833401  0.428747  1
  Sm  Sm56  1  0.595167  0.757229  0.408984  1
  Sm  Sm57  1  0.935445  0.333535  0.428759  1
  Sm  Sm58  1  0.273009  0.890488  0.450692  1
  Sm  Sm59  1  0.610380  0.456083  0.470774  1
  Sm  Sm60  1  0.272666  0.390729  0.450847  1
  Sm  Sm61  1  0.019784  0.092794  0.434753  1
  Sm  Sm62  1  0.681500  0.016970  0.414096  1
  Sm  Sm63  1  0.019759  0.592800  0.434776  1
  Sm  Sm64  1  0.357357  0.151364  0.456595  1
  Sm  Sm65  1  0.680489  0.516627  0.413558  1
  Sm  Sm66  1  0.357292  0.650703  0.456648  1
  Sm  Sm67  1  0.850097  0.570481  0.421926  1
  Sm  Sm68  1  0.525526  0.697851  0.466487  1
  Sm  Sm69  1  0.850258  0.070620  0.421966  1
  Sm  Sm70  1  0.188262  0.633386  0.445131  1
  Sm  Sm71  1  0.525744  0.196706  0.466089  1
  Sm  Sm72  1  0.188405  0.133127  0.445107  1
  Sm  Sm73  1  0.787964  0.089548  0.510057  1
  Sm  Sm74  1  0.448894  0.023559  0.493796  1
  Sm  Sm75  1  0.787866  0.588086  0.509789  1
  Sm  Sm76  1  0.111741  0.963210  0.472865  1
  Sm  Sm77  1  0.448796  0.522220  0.493544  1
  Sm  Sm78  1  0.111688  0.463153  0.472885  1
  Sm  Sm79  1  0.949702  0.025864  0.490991  1
  Sm  Sm80  1  0.610633  0.956397  0.470877  1
  Sm  Sm81  1  0.949727  0.525882  0.491055  1
  Sm  Sm82  1  0.287221  0.086908  0.512805  1
  Sm  Sm83  1  0.626028  0.654730  0.532895  1
  Sm  Sm84  1  0.287232  0.586984  0.512866  1
  Sm  Sm85  1  0.034372  0.287213  0.497669  1
  Sm  Sm86  1  0.695776  0.215647  0.475748  1
  Sm  Sm87  1  0.034346  0.787284  0.497684  1
  Sm  Sm88  1  0.372033  0.347760  0.519490  1
  Sm  Sm89  1  0.695684  0.714970  0.475565  1
  Sm  Sm90  1  0.372028  0.847743  0.519316  1
  Sm  Sm91  1  0.864984  0.765257  0.484518  1
  Sm  Sm92  1  0.541046  0.896058  0.528137  1
  Sm  Sm93  1  0.864969  0.265231  0.484325  1
  Sm  Sm94  1  0.202738  0.830679  0.507889  1
  Sm  Sm95  1  0.540948  0.395450  0.527970  1
  Sm  Sm96  1  0.202698  0.330731  0.507917  1
  Sm  Sm97  1  0.802008  0.285023  0.573284  1
  Sm  Sm98  1  0.464355  0.222305  0.556701  1
  Sm  Sm99  1  0.803057  0.783284  0.572295  1
  Sm  Sm100  1  0.125896  0.159062  0.535560  1
  Sm  Sm101  1  0.463980  0.722131  0.556570  1
  Sm  Sm102  1  0.125874  0.658987  0.535569  1
  Sm  Sm103  1  0.963807  0.220048  0.553139  1
  Sm  Sm104  1  0.626266  0.155042  0.533004  1
  Sm  Sm105  1  0.963459  0.720312  0.553272  1
  Sm  Sm106  1  0.301881  0.283351  0.574901  1
  Sm  Sm107  1  0.641355  0.853644  0.594807  1
  Sm  Sm108  1  0.301942  0.783448  0.574921  1
  Sm  Sm109  1  0.048463  0.481613  0.560499  1
  Sm  Sm110  1  0.710898  0.414543  0.537622  1
  Sm  Sm111  1  0.048625  0.981342  0.560488  1
  Sm  Sm112  1  0.386904  0.542876  0.581954  1
  Sm  Sm113  1  0.711121  0.913381  0.537207  1
  Sm  Sm114  1  0.387033  0.043086  0.582005  1
  Sm  Sm115  1  0.879245  0.960765  0.547251  1
  Sm  Sm116  1  0.556178  0.094219  0.590154  1
  Sm  Sm117  1  0.879177  0.460029  0.547303  1
  Sm  Sm118  1  0.216868  0.027719  0.570370  1
  Sm  Sm119  1  0.555238  0.593864  0.589644  1
  Sm  Sm120  1  0.216837  0.527802  0.570399  1
  Sm  Sm121  1  0.818149  0.486777  0.634363  1
  Sm  Sm122  1  0.478819  0.424437  0.620885  1
  Sm  Sm123  1  0.817957  0.985165  0.634573  1
  Sm  Sm124  1  0.139893  0.357289  0.599051  1
  Sm  Sm125  1  0.479015  0.925155  0.620890  1
  Sm  Sm126  1  0.139962  0.857589  0.599071  1
  Sm  Sm127  1  0.978255  0.406695  0.615230  1
  Sm  Sm128  1  0.641982  0.359866  0.595738  1
  Sm  Sm129  1  0.978945  0.906249  0.615202  1
  Sm  Sm130  1  0.316719  0.471899  0.637095  1
  Sm  Sm131  1  0.653672  0.060782  0.655815  1
  Sm  Sm132  1  0.316673  0.972147  0.637090  1
  Sm  Sm133  1  0.062118  0.672721  0.623161  1
  Sm  Sm134  1  0.725641  0.614366  0.600222  1
  Sm  Sm135  1  0.061880  0.173598  0.623210  1
  Sm  Sm136  1  0.401157  0.734804  0.644514  1
  Sm  Sm137  1  0.725868  0.105914  0.598749  1
  Sm  Sm138  1  0.401425  0.234851  0.644641  1
  Sm  Sm139  1  0.895361  0.156237  0.609663  1
  Sm  Sm140  1  0.571457  0.297466  0.650074  1
  Sm  Sm141  1  0.894832  0.656883  0.610589  1
  Sm  Sm142  1  0.233764  0.224863  0.631818  1
  Sm  Sm143  1  0.571839  0.792245  0.650068  1
  Sm  Sm144  1  0.233810  0.724882  0.631835  1
  Sm  Sm145  1  0.819521  0.656696  0.700651  1
  Sm  Sm146  1  0.500475  0.639349  0.684268  1
  Sm  Sm147  1  0.811795  0.160502  0.703051  1
  Sm  Sm148  1  0.157799  0.576687  0.661757  1
  Sm  Sm149  1  0.501815  0.137489  0.684749  1
  Sm  Sm150  1  0.157716  0.076601  0.661766  1
  Sm  Sm151  1  0.988690  0.608998  0.677339  1
  Sm  Sm152  1  0.655420  0.563373  0.660923  1
  Sm  Sm153  1  0.988327  0.110418  0.677550  1
  Sm  Sm154  1  0.330334  0.669761  0.699243  1
  Sm  Sm155  1  0.689170  0.203782  0.717784  1
  Sm  Sm156  1  0.330472  0.169555  0.699214  1
  Sm  Sm157  1  0.076492  0.868933  0.685407  1
  Sm  Sm158  1  0.738589  0.825673  0.664965  1
  Sm  Sm159  1  0.076721  0.368707  0.685562  1
  Sm  Sm160  1  0.418898  0.932256  0.706487  1
  Sm  Sm161  1  0.740305  0.321048  0.659587  1
  Sm  Sm162  1  0.418829  0.431918  0.706495  1
  Sm  Sm163  1  0.901083  0.362086  0.674802  1
  Sm  Sm164  1  0.590979  0.456652  0.715109  1
  Sm  Sm165  1  0.901361  0.868315  0.674907  1
  Sm  Sm166  1  0.243615  0.422422  0.696090  1
  Sm  Sm167  1  0.593610  0.959597  0.714535  1
  Sm  Sm168  1  0.243562  0.922611  0.696104  1
