# generated using pymatgen
data_Sm3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.75409468
_cell_length_b   17.46985105
_cell_length_c   49.62520698
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.90653073
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Al
_chemical_formula_sum   'Sm126 Al42'
_cell_volume   10968.5244856
_cell_formula_units_Z   42
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  0.851082  0.404133  0.280147  1
  Sm  Sm2  1  0.332230  0.457365  0.269099  1
  Sm  Sm3  1  0.711783  0.645810  0.281323  1
  Sm  Sm4  1  0.722207  0.006769  0.297706  1
  Sm  Sm5  1  0.185488  0.743656  0.331123  1
  Sm  Sm6  1  0.186382  0.098477  0.328136  1
  Sm  Sm7  1  0.635659  0.256492  0.279868  1
  Sm  Sm8  1  0.165853  0.298087  0.282461  1
  Sm  Sm9  1  0.704824  0.525301  0.346304  1
  Sm  Sm10  1  0.615740  0.866386  0.319393  1
  Sm  Sm11  1  0.341836  0.680874  0.262877  1
  Sm  Sm12  1  0.185663  0.907075  0.292447  1
  Sm  Sm13  1  0.571979  0.498492  0.286807  1
  Sm  Sm14  1  0.022536  0.522640  0.266819  1
  Sm  Sm15  1  0.471655  0.726887  0.318855  1
  Sm  Sm16  1  0.437407  0.102181  0.288699  1
  Sm  Sm17  1  0.913235  0.737899  0.300734  1
  Sm  Sm18  1  0.907760  0.088980  0.308538  1
  Sm  Sm19  1  0.475676  0.401766  0.335879  1
  Sm  Sm20  1  0.009018  0.365717  0.344305  1
  Sm  Sm21  1  0.439475  0.628711  0.381430  1
  Sm  Sm22  1  0.460947  0.033144  0.359647  1
  Sm  Sm23  1  0.968624  0.532369  0.388269  1
  Sm  Sm24  1  0.055924  0.948521  0.369233  1
  Sm  Sm25  1  0.585363  0.174316  0.347499  1
  Sm  Sm26  1  0.967936  0.174649  0.377402  1
  Sm  Sm27  1  0.409388  0.384082  0.396974  1
  Sm  Sm28  1  0.538261  0.775917  0.397420  1
  Sm  Sm29  1  0.166355  0.496039  0.330028  1
  Sm  Sm30  1  -0.000497  0.727453  0.370514  1
  Sm  Sm31  1  0.313808  0.261396  0.343891  1
  Sm  Sm32  1  0.753033  0.308229  0.338876  1
  Sm  Sm33  1  0.235922  0.573030  0.385998  1
  Sm  Sm34  1  0.325653  0.879389  0.363134  1
  Sm  Sm35  1  0.754008  0.701407  0.354805  1
  Sm  Sm36  1  0.808774  0.928115  0.364856  1
  Sm  Sm37  1  0.370782  0.198940  0.414470  1
  Sm  Sm38  1  0.947610  0.183755  0.447686  1
  Sm  Sm39  1  0.214911  0.452186  0.446799  1
  Sm  Sm40  1  0.286818  0.850032  0.436422  1
  Sm  Sm41  1  0.692920  0.572631  0.421283  1
  Sm  Sm42  1  0.732634  0.914190  0.447721  1
  Sm  Sm43  1  0.234079  0.056593  0.402677  1
  Sm  Sm44  1  0.833284  0.053674  0.423804  1
  Sm  Sm45  1  0.291234  0.267531  0.486434  1
  Sm  Sm46  1  0.282941  0.639875  0.451813  1
  Sm  Sm47  1  0.834854  0.370579  0.406520  1
  Sm  Sm48  1  0.810069  0.731629  0.420592  1
  Sm  Sm49  1  0.087680  0.312101  0.429475  1
  Sm  Sm50  1  0.660482  0.244422  0.407633  1
  Sm  Sm51  1  0.929830  0.532582  0.456182  1
  Sm  Sm52  1  0.012867  0.833674  0.438225  1
  Sm  Sm53  1  0.529907  0.466485  0.443571  1
  Sm  Sm54  1  0.470543  0.953256  0.436470  1
  Sm  Sm55  1  0.232374  0.090952  0.474009  1
  Sm  Sm56  1  0.782337  0.075711  0.493248  1
  Sm  Sm57  1  0.062328  0.437933  0.512962  1
  Sm  Sm58  1  0.149970  0.794222  0.508305  1
  Sm  Sm59  1  0.666700  0.352034  0.539980  1
  Sm  Sm60  1  0.627830  0.753263  0.472998  1
  Sm  Sm61  1  0.067710  0.987490  0.485818  1
  Sm  Sm62  1  0.663927  0.935015  0.514569  1
  Sm  Sm63  1  0.143596  0.239604  0.545738  1
  Sm  Sm64  1  0.122351  0.606629  0.505253  1
  Sm  Sm65  1  0.679985  0.280317  0.473519  1
  Sm  Sm66  1  0.577644  0.558227  0.501185  1
  Sm  Sm67  1  0.929567  0.189830  0.517637  1
  Sm  Sm68  1  0.540866  0.108258  0.467022  1
  Sm  Sm69  1  0.822829  0.399849  0.480683  1
  Sm  Sm70  1  0.874431  0.726659  0.497072  1
  Sm  Sm71  1  0.378985  0.444229  0.503035  1
  Sm  Sm72  1  0.385249  0.815700  0.499460  1
  Sm  Sm73  1  0.940523  0.990239  0.551211  1
  Sm  Sm74  1  0.412129  0.111502  0.544317  1
  Sm  Sm75  1  0.935808  0.224716  0.586450  1
  Sm  Sm76  1  0.936091  0.604693  0.567260  1
  Sm  Sm77  1  0.312627  0.299775  0.605084  1
  Sm  Sm78  1  0.411186  0.724581  0.562806  1
  Sm  Sm79  1  0.965988  0.797625  0.562816  1
  Sm  Sm80  1  0.493576  0.906308  0.566361  1
  Sm  Sm81  1  0.799197  0.126988  0.612264  1
  Sm  Sm82  1  0.839229  0.435266  0.554850  1
  Sm  Sm83  1  0.537396  0.225135  0.525325  1
  Sm  Sm84  1  0.418289  0.470317  0.567166  1
  Sm  Sm85  1  0.694198  0.002547  0.577835  1
  Sm  Sm86  1  0.214197  0.999960  0.544619  1
  Sm  Sm87  1  0.562509  0.242707  0.594382  1
  Sm  Sm88  1  0.653862  0.695342  0.543710  1
  Sm  Sm89  1  0.063773  0.392896  0.593481  1
  Sm  Sm90  1  0.217092  0.653981  0.570783  1
  Sm  Sm91  1  0.872092  0.896758  0.634828  1
  Sm  Sm92  1  0.330407  0.864441  0.615855  1
  Sm  Sm93  1  0.543095  0.272237  0.665202  1
  Sm  Sm94  1  0.721720  0.583679  0.611026  1
  Sm  Sm95  1  0.062115  0.280356  0.664316  1
  Sm  Sm96  1  0.199093  0.550952  0.626793  1
  Sm  Sm97  1  0.744823  0.775427  0.617727  1
  Sm  Sm98  1  0.164743  0.771857  0.627378  1
  Sm  Sm99  1  0.656454  0.058307  0.655310  1
  Sm  Sm100  1  0.653034  0.396483  0.613316  1
  Sm  Sm101  1  0.234109  0.112680  0.603907  1
  Sm  Sm102  1  0.238504  0.386108  0.667573  1
  Sm  Sm103  1  0.509840  0.942913  0.638710  1
  Sm  Sm104  1  0.054413  0.982011  0.611882  1
  Sm  Sm105  1  0.363654  0.165236  0.664002  1
  Sm  Sm106  1  0.447302  0.614431  0.628843  1
  Sm  Sm107  1  0.798635  0.252839  0.663314  1
  Sm  Sm108  1  0.972289  0.524947  0.643935  1
  Sm  Sm109  1  0.669162  0.835771  0.692416  1
  Sm  Sm110  1  0.098723  0.878421  0.685641  1
  Sm  Sm111  1  0.545342  0.066267  0.718983  1
  Sm  Sm112  1  0.439829  0.502112  0.686105  1
  Sm  Sm113  1  0.010050  0.098615  0.712531  1
  Sm  Sm114  1  0.926834  0.511126  0.713256  1
  Sm  Sm115  1  0.587339  0.650583  0.708880  1
  Sm  Sm116  1  0.969663  0.713980  0.679612  1
  Sm  Sm117  1  0.464875  0.888298  0.747583  1
  Sm  Sm118  1  0.404179  0.308650  0.727130  1
  Sm  Sm119  1  0.215714  0.024545  0.664317  1
  Sm  Sm120  1  0.904907  0.311482  0.727861  1
  Sm  Sm121  1  0.369278  0.798446  0.684514  1
  Sm  Sm122  1  0.847211  0.939008  0.714057  1
  Sm  Sm123  1  0.244901  0.149774  0.726965  1
  Sm  Sm124  1  0.172493  0.537284  0.713745  1
  Sm  Sm125  1  0.726601  0.167199  0.722852  1
  Sm  Sm126  1  0.735414  0.466199  0.674223  1
  Al  Al127  1  0.408960  0.286837  0.294038  1
  Al  Al128  1  0.978859  0.235736  0.309094  1
  Al  Al129  1  0.355016  0.579647  0.319618  1
  Al  Al130  1  0.382346  0.942974  0.308562  1
  Al  Al131  1  0.157415  0.629663  0.286064  1
  Al  Al132  1  0.970670  0.891662  0.317439  1
  Al  Al133  1  0.165808  0.220670  0.376954  1
  Al  Al134  1  0.809102  0.103027  0.363754  1
  Al  Al135  1  0.188847  0.386986  0.386184  1
  Al  Al136  1  0.198752  0.763021  0.394644  1
  Al  Al137  1  0.910081  0.549977  0.322265  1
  Al  Al138  1  0.639833  0.890681  0.387986  1
  Al  Al139  1  0.071419  0.002846  0.426170  1
  Al  Al140  1  0.611782  0.061496  0.403734  1
  Al  Al141  1  0.057854  0.272897  0.487787  1
  Al  Al142  1  0.055869  0.640303  0.434630  1
  Al  Al143  1  0.604687  0.438007  0.384816  1
  Al  Al144  1  0.481075  0.672745  0.447652  1
  Al  Al145  1  0.912710  0.888353  0.498586  1
  Al  Al146  1  0.436553  0.971326  0.501643  1
  Al  Al147  1  0.756775  0.161341  0.552212  1
  Al  Al148  1  0.814217  0.568965  0.509221  1
  Al  Al149  1  0.458354  0.307909  0.454602  1
  Al  Al150  1  0.342682  0.631085  0.516491  1
  Al  Al151  1  0.749674  0.811000  0.557712  1
  Al  Al152  1  0.168990  0.847498  0.568663  1
  Al  Al153  1  0.472317  0.101768  0.606150  1
  Al  Al154  1  0.591444  0.543360  0.567314  1
  Al  Al155  1  0.305535  0.332444  0.544801  1
  Al  Al156  1  0.185111  0.488530  0.561345  1
  Al  Al157  1  0.565758  0.737527  0.647554  1
  Al  Al158  1  0.992144  0.698625  0.616125  1
  Al  Al159  1  0.416879  0.976944  0.694752  1
  Al  Al160  1  0.423368  0.421341  0.628541  1
  Al  Al161  1  0.008193  0.140620  0.641903  1
  Al  Al162  1  0.876571  0.385066  0.624272  1
  Al  Al163  1  0.233800  0.668389  0.677940  1
  Al  Al164  1  0.771035  0.648809  0.669964  1
  Al  Al165  1  0.240520  0.958100  0.721537  1
  Al  Al166  1  0.140034  0.345702  0.718104  1
  Al  Al167  1  0.898933  0.046247  0.667351  1
  Al  Al168  1  0.639686  0.355964  0.709643  1
