# generated using pymatgen
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73789129
_cell_length_b   21.14450822
_cell_length_c   58.77337651
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl
_chemical_formula_sum   'Sm72 Al72'
_cell_volume   7130.67341042
_cell_formula_units_Z   72
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  0.251711  0.755123  0.292310  1
  Sm  Sm2  1  0.251711  0.287190  0.402659  1
  Sm  Sm3  1  0.251711  0.518840  0.347267  1
  Sm  Sm4  1  0.251711  0.007783  0.393520  1
  Sm  Sm5  1  0.251711  0.241641  0.337137  1
  Sm  Sm6  1  0.251711  0.479492  0.278107  1
  Sm  Sm7  1  0.251711  0.824872  0.394096  1
  Sm  Sm8  1  0.251711  0.059413  0.339094  1
  Sm  Sm9  1  0.251711  0.292169  0.282557  1
  Sm  Sm10  1  0.251711  0.679692  0.352938  1
  Sm  Sm11  1  0.251711  0.912558  0.297341  1
  Sm  Sm12  1  0.251711  0.444906  0.407588  1
  Sm  Sm13  1  0.751711  0.755538  0.253122  1
  Sm  Sm14  1  0.751711  0.290671  0.364575  1
  Sm  Sm15  1  0.751711  0.523720  0.309763  1
  Sm  Sm16  1  0.751711  0.911474  0.380279  1
  Sm  Sm17  1  0.751711  0.146645  0.324461  1
  Sm  Sm18  1  0.751711  0.378629  0.267733  1
  Sm  Sm19  1  0.751711  0.728585  0.380480  1
  Sm  Sm20  1  0.751711  0.960071  0.325887  1
  Sm  Sm21  1  0.751711  0.180105  0.267001  1
  Sm  Sm22  1  0.751711  0.686352  0.315720  1
  Sm  Sm23  1  0.751711  0.930352  0.259277  1
  Sm  Sm24  1  0.751711  0.448330  0.369716  1
  Sm  Sm25  1  0.251711  0.053081  0.458674  1
  Sm  Sm26  1  0.251711  0.583967  0.569862  1
  Sm  Sm27  1  0.251711  0.818087  0.514077  1
  Sm  Sm28  1  0.251711  0.306065  0.560320  1
  Sm  Sm29  1  0.251711  0.539127  0.504334  1
  Sm  Sm30  1  0.251711  0.773271  0.448920  1
  Sm  Sm31  1  0.251711  0.123109  0.560626  1
  Sm  Sm32  1  0.251711  0.356849  0.504942  1
  Sm  Sm33  1  0.251711  0.590159  0.449149  1
  Sm  Sm34  1  0.251711  0.977322  0.519208  1
  Sm  Sm35  1  0.251711  0.211791  0.463698  1
  Sm  Sm36  1  0.251711  0.742586  0.574666  1
  Sm  Sm37  1  0.751711  0.057146  0.421199  1
  Sm  Sm38  1  0.751711  0.587941  0.532167  1
  Sm  Sm39  1  0.751711  0.822410  0.476657  1
  Sm  Sm40  1  0.751711  0.209573  0.546716  1
  Sm  Sm41  1  0.751711  0.442883  0.490923  1
  Sm  Sm42  1  0.751711  0.676623  0.435239  1
  Sm  Sm43  1  0.751711  0.026461  0.546945  1
  Sm  Sm44  1  0.751711  0.260605  0.491531  1
  Sm  Sm45  1  0.751711  0.493667  0.435545  1
  Sm  Sm46  1  0.751711  0.981645  0.481788  1
  Sm  Sm47  1  0.751711  0.215765  0.426003  1
  Sm  Sm48  1  0.751711  0.746651  0.537191  1
  Sm  Sm49  1  0.251711  0.351402  0.626149  1
  Sm  Sm50  1  0.251711  0.869380  0.736588  1
  Sm  Sm51  1  0.251711  0.113380  0.680145  1
  Sm  Sm52  1  0.251711  0.619627  0.728864  1
  Sm  Sm53  1  0.251711  0.839661  0.669978  1
  Sm  Sm54  1  0.251711  0.071147  0.615385  1
  Sm  Sm55  1  0.251711  0.421103  0.728132  1
  Sm  Sm56  1  0.251711  0.653087  0.671404  1
  Sm  Sm57  1  0.251711  0.888258  0.615586  1
  Sm  Sm58  1  0.251711  0.276012  0.686102  1
  Sm  Sm59  1  0.251711  0.509061  0.631290  1
  Sm  Sm60  1  0.251711  0.044193  0.742743  1
  Sm  Sm61  1  0.751711  0.354826  0.588277  1
  Sm  Sm62  1  0.751711  0.887174  0.698524  1
  Sm  Sm63  1  0.751711  0.120040  0.642927  1
  Sm  Sm64  1  0.751711  0.507563  0.713308  1
  Sm  Sm65  1  0.751711  0.740319  0.656771  1
  Sm  Sm66  1  0.751711  0.974860  0.601769  1
  Sm  Sm67  1  0.751711  0.320240  0.717758  1
  Sm  Sm68  1  0.751711  0.558091  0.658728  1
  Sm  Sm69  1  0.751711  0.791949  0.602346  1
  Sm  Sm70  1  0.751711  0.280892  0.648599  1
  Sm  Sm71  1  0.751711  0.512542  0.593206  1
  Sm  Sm72  1  0.751711  0.044609  0.703555  1
  Al  Al73  1  0.503941  0.626078  0.270168  1
  Al  Al74  1  0.501177  0.156646  0.377984  1
  Al  Al75  1  0.500494  0.389542  0.320753  1
  Al  Al76  1  0.503400  0.814797  0.339917  1
  Al  Al77  1  0.506675  0.046020  0.287964  1
  Al  Al78  1  0.502350  0.579744  0.395336  1
  Al  Al79  1  0.251711  0.607762  0.307745  1
  Al  Al80  1  0.251711  0.844296  0.250887  1
  Al  Al81  1  0.251711  0.374241  0.360853  1
  Al  Al82  1  0.251711  0.919547  0.351582  1
  Al  Al83  1  0.251711  0.151858  0.295053  1
  Al  Al84  1  0.251711  0.685355  0.406840  1
  Al  Al85  1  0.999482  0.626078  0.270168  1
  Al  Al86  1  0.002246  0.156646  0.377984  1
  Al  Al87  1  0.002929  0.389542  0.320753  1
  Al  Al88  1  1.000023  0.814797  0.339917  1
  Al  Al89  1  0.996748  0.046020  0.287964  1
  Al  Al90  1  1.001072  0.579744  0.395336  1
  Al  Al91  1  0.751711  0.522098  0.256451  1
  Al  Al92  1  0.751711  0.050875  0.367102  1
  Al  Al93  1  0.751711  0.282425  0.309360  1
  Al  Al94  1  0.751711  0.830746  0.299032  1
  Al  Al95  1  0.751711  0.360735  0.411152  1
  Al  Al96  1  0.751711  0.594888  0.355758  1
  Al  Al97  1  0.501320  0.921944  0.433671  1
  Al  Al98  1  0.500716  0.453548  0.544889  1
  Al  Al99  1  0.501202  0.687096  0.488974  1
  Al  Al100  1  0.502220  0.112636  0.506892  1
  Al  Al101  1  0.502706  0.346184  0.450976  1
  Al  Al102  1  0.502103  0.877788  0.562194  1
  Al  Al103  1  0.251711  0.906897  0.473109  1
  Al  Al104  1  0.251711  0.141523  0.417502  1
  Al  Al105  1  0.251711  0.672118  0.528564  1
  Al  Al106  1  0.251711  0.218100  0.518101  1
  Al  Al107  1  0.251711  0.451350  0.462104  1
  Al  Al108  1  0.251711  0.983571  0.573223  1
  Al  Al109  1  0.002103  0.921944  0.433671  1
  Al  Al110  1  0.002706  0.453548  0.544889  1
  Al  Al111  1  0.002220  0.687096  0.488974  1
  Al  Al112  1  1.001202  0.112636  0.506892  1
  Al  Al113  1  1.000716  0.346184  0.450976  1
  Al  Al114  1  1.001320  0.877788  0.562194  1
  Al  Al115  1  0.751711  0.816161  0.422642  1
  Al  Al116  1  0.751711  0.348382  0.533761  1
  Al  Al117  1  0.751711  0.581632  0.477764  1
  Al  Al118  1  0.751711  0.127614  0.467301  1
  Al  Al119  1  0.751711  0.658209  0.578363  1
  Al  Al120  1  0.751711  0.892835  0.522756  1
  Al  Al121  1  0.501072  0.219987  0.600529  1
  Al  Al122  1  0.496748  0.753712  0.707901  1
  Al  Al123  1  0.500023  0.984935  0.655949  1
  Al  Al124  1  0.502929  0.410190  0.675112  1
  Al  Al125  1  0.502246  0.643086  0.617882  1
  Al  Al126  1  0.499482  0.173654  0.725697  1
  Al  Al127  1  0.251711  0.204844  0.640107  1
  Al  Al128  1  0.251711  0.438997  0.584713  1
  Al  Al129  1  0.251711  0.968986  0.696833  1
  Al  Al130  1  0.251711  0.517307  0.686505  1
  Al  Al131  1  0.251711  0.748857  0.628763  1
  Al  Al132  1  0.251711  0.277634  0.739414  1
  Al  Al133  1  0.002350  0.219987  0.600529  1
  Al  Al134  1  0.006675  0.753712  0.707901  1
  Al  Al135  1  0.003400  0.984935  0.655949  1
  Al  Al136  1  1.000494  0.410190  0.675112  1
  Al  Al137  1  1.001177  0.643086  0.617882  1
  Al  Al138  1  0.003941  0.173654  0.725697  1
  Al  Al139  1  0.751711  0.114377  0.589025  1
  Al  Al140  1  0.751711  0.647874  0.700812  1
  Al  Al141  1  0.751711  0.880185  0.644283  1
  Al  Al142  1  0.751711  0.425491  0.635012  1
  Al  Al143  1  0.751711  0.955436  0.744978  1
  Al  Al144  1  0.751711  0.191970  0.688120  1
