# generated using pymatgen
data_Sm3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.10998939
_cell_length_b   15.12465884
_cell_length_c   49.37393541
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Al
_chemical_formula_sum   'Sm135 Al45'
_cell_volume   11227.0353042
_cell_formula_units_Z   45
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  0.257193  0.603152  0.269570  1
  Sm  Sm2  1  0.583993  0.311020  0.269102  1
  Sm  Sm3  1  0.537050  0.561005  0.308916  1
  Sm  Sm4  1  0.975815  0.940801  0.277485  1
  Sm  Sm5  1  0.921714  0.135922  0.333792  1
  Sm  Sm6  1  0.794133  0.540825  0.336994  1
  Sm  Sm7  1  0.225070  0.841818  0.307512  1
  Sm  Sm8  1  0.305507  0.316285  0.246759  1
  Sm  Sm9  1  0.455185  0.853288  0.333789  1
  Sm  Sm10  1  0.149295  0.412553  0.301797  1
  Sm  Sm11  1  0.577517  0.997089  0.275605  1
  Sm  Sm12  1  0.527392  0.313210  0.346580  1
  Sm  Sm13  1  0.844513  0.764157  0.300078  1
  Sm  Sm14  1  0.862879  0.951727  0.357260  1
  Sm  Sm15  1  0.884978  0.330490  0.295446  1
  Sm  Sm16  1  0.176893  0.621193  0.338395  1
  Sm  Sm17  1  0.309242  0.040008  0.283963  1
  Sm  Sm18  1  0.631944  0.744724  0.282838  1
  Sm  Sm19  1  0.978584  0.567179  0.297773  1
  Sm  Sm20  1  0.318898  0.257188  0.317240  1
  Sm  Sm21  1  0.481160  0.540233  0.243550  1
  Sm  Sm22  1  0.659579  0.902503  0.343111  1
  Sm  Sm23  1  0.804750  0.124969  0.257312  1
  Sm  Sm24  1  0.739583  0.518498  0.265722  1
  Sm  Sm25  1  0.175114  0.885558  0.242443  1
  Sm  Sm26  1  0.086710  0.162008  0.270629  1
  Sm  Sm27  1  0.409375  0.793216  0.261616  1
  Sm  Sm28  1  0.157359  0.422348  0.378528  1
  Sm  Sm29  1  0.459941  0.092625  0.343772  1
  Sm  Sm30  1  0.436728  0.429554  0.416673  1
  Sm  Sm31  1  0.845477  0.723780  0.370339  1
  Sm  Sm32  1  0.683859  0.107678  0.389299  1
  Sm  Sm33  1  0.691933  0.438093  0.444834  1
  Sm  Sm34  1  0.083868  0.689565  0.409498  1
  Sm  Sm35  1  0.122693  0.207045  0.337945  1
  Sm  Sm36  1  0.348325  0.707613  0.442917  1
  Sm  Sm37  1  0.030669  0.265731  0.408332  1
  Sm  Sm38  1  0.353752  0.945028  0.411957  1
  Sm  Sm39  1  0.457473  0.176446  0.414083  1
  Sm  Sm40  1  0.716440  0.638940  0.412171  1
  Sm  Sm41  1  0.737419  0.881489  0.420822  1
  Sm  Sm42  1  0.795947  0.308539  0.375067  1
  Sm  Sm43  1  0.084936  0.525555  0.453360  1
  Sm  Sm44  1  0.094817  0.981094  0.382515  1
  Sm  Sm45  1  0.436323  0.642364  0.378131  1
  Sm  Sm46  1  0.906068  0.489752  0.408702  1
  Sm  Sm47  1  0.246001  0.147035  0.392065  1
  Sm  Sm48  1  0.357068  0.483919  0.344462  1
  Sm  Sm49  1  0.544623  0.788257  0.406552  1
  Sm  Sm50  1  0.687702  0.163922  0.318943  1
  Sm  Sm51  1  0.620186  0.496710  0.375773  1
  Sm  Sm52  1  0.036918  0.805974  0.342784  1
  Sm  Sm53  1  0.896643  0.089847  0.415920  1
  Sm  Sm54  1  0.262788  0.788581  0.375217  1
  Sm  Sm55  1  0.986761  0.367915  0.480016  1
  Sm  Sm56  1  0.326070  0.116695  0.480202  1
  Sm  Sm57  1  0.247689  0.362322  0.508101  1
  Sm  Sm58  1  0.661971  0.650706  0.478418  1
  Sm  Sm59  1  0.664762  0.852886  0.497098  1
  Sm  Sm60  1  0.602782  0.293670  0.535587  1
  Sm  Sm61  1  0.955749  0.650948  0.514494  1
  Sm  Sm62  1  0.133488  0.059260  0.445297  1
  Sm  Sm63  1  0.318328  0.591401  0.540629  1
  Sm  Sm64  1  0.937617  0.158532  0.484354  1
  Sm  Sm65  1  0.299862  0.896133  0.484243  1
  Sm  Sm66  1  0.268994  0.040451  0.569991  1
  Sm  Sm67  1  0.515753  0.490463  0.493378  1
  Sm  Sm68  1  0.601058  0.788317  0.562978  1
  Sm  Sm69  1  0.677584  0.224385  0.458005  1
  Sm  Sm70  1  0.979704  0.444394  0.540935  1
  Sm  Sm71  1  0.993807  0.902464  0.468362  1
  Sm  Sm72  1  0.301686  0.525111  0.466870  1
  Sm  Sm73  1  0.764468  0.393513  0.508708  1
  Sm  Sm74  1  0.128435  1.004414  0.516980  1
  Sm  Sm75  1  0.239558  0.319951  0.438210  1
  Sm  Sm76  1  0.462277  0.710594  0.513044  1
  Sm  Sm77  1  0.542919  0.015750  0.455832  1
  Sm  Sm78  1  0.460668  0.290713  0.476546  1
  Sm  Sm79  1  0.881897  0.727863  0.454788  1
  Sm  Sm80  1  0.773511  0.013090  0.474004  1
  Sm  Sm81  1  0.157761  0.729882  0.490698  1
  Sm  Sm82  1  0.897710  0.241752  0.556294  1
  Sm  Sm83  1  0.274860  0.826027  0.554256  1
  Sm  Sm84  1  0.282260  0.248465  0.603839  1
  Sm  Sm85  1  0.573165  0.530248  0.562234  1
  Sm  Sm86  1  0.671666  0.871216  0.624554  1
  Sm  Sm87  1  0.523091  0.200803  0.659335  1
  Sm  Sm88  1  0.943493  0.550775  0.600775  1
  Sm  Sm89  1  0.906069  0.008206  0.536870  1
  Sm  Sm90  1  0.144363  0.607648  0.647695  1
  Sm  Sm91  1  0.851194  0.059371  0.603885  1
  Sm  Sm92  1  0.271040  0.753526  0.620273  1
  Sm  Sm93  1  0.227770  0.992188  0.635699  1
  Sm  Sm94  1  0.490668  0.339476  0.600869  1
  Sm  Sm95  1  0.536620  0.687640  0.638837  1
  Sm  Sm96  1  0.540003  0.093520  0.591584  1
  Sm  Sm97  1  0.877868  0.356000  0.626959  1
  Sm  Sm98  1  0.856961  0.800620  0.578967  1
  Sm  Sm99  1  0.211323  0.438359  0.576273  1
  Sm  Sm100  1  0.706015  0.244969  0.593537  1
  Sm  Sm101  1  0.064471  0.898498  0.596827  1
  Sm  Sm102  1  0.128185  0.227548  0.541915  1
  Sm  Sm103  1  0.361368  0.526981  0.614552  1
  Sm  Sm104  1  0.462540  0.962090  0.528637  1
  Sm  Sm105  1  0.395367  0.201927  0.543535  1
  Sm  Sm106  1  0.760264  0.622779  0.536639  1
  Sm  Sm107  1  0.690379  1.006827  0.549892  1
  Sm  Sm108  1  0.108043  0.665675  0.572047  1
  Sm  Sm109  1  0.835863  0.157375  0.668300  1
  Sm  Sm110  1  0.116412  0.855082  0.672135  1
  Sm  Sm111  1  0.095086  0.113918  0.697129  1
  Sm  Sm112  1  0.514961  0.437823  0.679345  1
  Sm  Sm113  1  0.371686  0.823135  0.682124  1
  Sm  Sm114  1  0.434657  0.072465  0.728900  1
  Sm  Sm115  1  0.791434  0.409389  0.696993  1
  Sm  Sm116  1  0.860861  0.893527  0.655607  1
  Sm  Sm117  1  0.101552  0.326776  0.728923  1
  Sm  Sm118  1  0.935894  0.968394  0.718971  1
  Sm  Sm119  1  0.213286  0.685613  0.715276  1
  Sm  Sm120  1  0.190020  0.919108  0.737468  1
  Sm  Sm121  1  0.637693  0.244142  0.718469  1
  Sm  Sm122  1  0.483258  0.652868  0.720200  1
  Sm  Sm123  1  0.503528  0.978661  0.665849  1
  Sm  Sm124  1  0.884442  0.205727  0.735728  1
  Sm  Sm125  1  0.821868  0.643085  0.652724  1
  Sm  Sm126  1  0.138899  0.376078  0.648264  1
  Sm  Sm127  1  0.688033  0.017241  0.705525  1
  Sm  Sm128  1  0.968405  0.735214  0.704960  1
  Sm  Sm129  1  0.075492  0.175299  0.624933  1
  Sm  Sm130  1  0.284264  0.461040  0.701422  1
  Sm  Sm131  1  0.442081  0.892556  0.604320  1
  Sm  Sm132  1  0.289998  0.206603  0.680734  1
  Sm  Sm133  1  0.661163  0.484617  0.623610  1
  Sm  Sm134  1  0.685388  0.784991  0.695853  1
  Sm  Sm135  1  1.001666  0.507140  0.688723  1
  Al  Al136  1  0.975007  0.387527  0.349777  1
  Al  Al137  1  0.452546  0.173733  0.276810  1
  Al  Al138  1  0.404399  0.419222  0.288918  1
  Al  Al139  1  0.765100  0.899558  0.256959  1
  Al  Al140  1  0.785158  0.987584  0.302290  1
  Al  Al141  1  0.687327  0.389194  0.318570  1
  Al  Al142  1  0.073466  0.738970  0.283522  1
  Al  Al143  1  0.105350  0.012249  0.318695  1
  Al  Al144  1  0.361967  0.682502  0.318930  1
  Al  Al145  1  0.853802  0.300704  0.439316  1
  Al  Al146  1  0.277785  0.994828  0.347382  1
  Al  Al147  1  0.343229  0.306093  0.376882  1
  Al  Al148  1  0.629367  0.696025  0.349601  1
  Al  Al149  1  0.542356  0.979575  0.391820  1
  Al  Al150  1  0.607900  0.308157  0.404619  1
  Al  Al151  1  0.999414  0.574613  0.360078  1
  Al  Al152  1  0.949943  0.860286  0.407608  1
  Al  Al153  1  0.264085  0.568039  0.402610  1
  Al  Al154  1  0.759747  0.169044  0.517600  1
  Al  Al155  1  0.177569  0.849985  0.433290  1
  Al  Al156  1  0.133916  0.216871  0.480217  1
  Al  Al157  1  0.530022  0.593012  0.435483  1
  Al  Al158  1  0.490997  0.828416  0.465101  1
  Al  Al159  1  0.574179  0.117560  0.507418  1
  Al  Al160  1  0.851212  0.536605  0.472041  1
  Al  Al161  1  0.851084  0.833860  0.515239  1
  Al  Al162  1  0.139062  0.539799  0.516122  1
  Al  Al163  1  0.683709  0.069532  0.640914  1
  Al  Al164  1  0.033392  0.830981  0.535736  1
  Al  Al165  1  0.043858  0.082946  0.573213  1
  Al  Al166  1  0.414887  0.403195  0.542951  1
  Al  Al167  1  0.433519  0.692409  0.581103  1
  Al  Al168  1  0.382912  0.092773  0.628567  1
  Al  Al169  1  0.782808  0.437039  0.571039  1
  Al  Al170  1  0.722419  0.655383  0.597640  1
  Al  Al171  1  0.047981  0.343619  0.591421  1
  Al  Al172  1  0.517281  0.876565  0.721969  1
  Al  Al173  1  0.991289  0.740174  0.629671  1
  Al  Al174  1  1.001613  0.019740  0.650896  1
  Al  Al175  1  0.358424  0.359525  0.649701  1
  Al  Al176  1  0.359866  0.620703  0.669414  1
  Al  Al177  1  0.287892  0.008471  0.692821  1
  Al  Al178  1  0.683469  0.309236  0.654182  1
  Al  Al179  1  0.654321  0.580583  0.683261  1
  Al  Al180  1  0.978066  0.293165  0.679476  1
