# generated using pymatgen
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.88492368
_cell_length_b   12.65263844
_cell_length_c   47.89385643
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl
_chemical_formula_sum   'Sm54 Al54'
_cell_volume   5510.09253713
_cell_formula_units_Z   54
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  0.127984  0.029134  0.256443  1
  Sm  Sm2  1  0.694283  0.036532  0.260416  1
  Sm  Sm3  1  0.503388  0.297897  0.239734  1
  Sm  Sm4  1  0.736033  0.588142  0.282369  1
  Sm  Sm5  1  0.087776  0.310707  0.246886  1
  Sm  Sm6  1  0.156985  0.600782  0.273834  1
  Sm  Sm7  1  0.813607  0.875270  0.316882  1
  Sm  Sm8  1  0.390886  0.880112  0.321648  1
  Sm  Sm9  1  0.343402  0.312054  0.305406  1
  Sm  Sm10  1  0.426818  0.601924  0.333063  1
  Sm  Sm11  1  0.769397  0.309704  0.296996  1
  Sm  Sm12  1  0.997116  0.603927  0.339985  1
  Sm  Sm13  1  0.648240  0.887489  0.380941  1
  Sm  Sm14  1  0.082168  0.884774  0.374116  1
  Sm  Sm15  1  0.044329  0.167392  0.361687  1
  Sm  Sm16  1  0.133396  0.449422  0.391709  1
  Sm  Sm17  1  0.475793  0.158316  0.356108  1
  Sm  Sm18  1  0.699020  0.447846  0.400801  1
  Sm  Sm19  1  0.348750  0.727921  0.436533  1
  Sm  Sm20  1  0.787927  0.735397  0.433089  1
  Sm  Sm21  1  0.738976  0.168234  0.414159  1
  Sm  Sm22  1  0.950788  0.464560  0.456945  1
  Sm  Sm23  1  0.310237  0.177250  0.418586  1
  Sm  Sm24  1  0.400335  0.448085  0.455069  1
  Sm  Sm25  1  0.086117  0.729684  0.495276  1
  Sm  Sm26  1  0.536305  0.742861  0.494311  1
  Sm  Sm27  1  0.443369  0.019294  0.471689  1
  Sm  Sm28  1  0.711773  0.371987  0.514457  1
  Sm  Sm29  1  0.054253  0.061446  0.471226  1
  Sm  Sm30  1  0.091343  0.311277  0.511975  1
  Sm  Sm31  1  0.770948  0.678631  0.548954  1
  Sm  Sm32  1  0.359025  0.666481  0.557039  1
  Sm  Sm33  1  0.154909  0.998960  0.532983  1
  Sm  Sm34  1  0.403177  0.278337  0.569508  1
  Sm  Sm35  1  0.744696  0.997037  0.533552  1
  Sm  Sm36  1  0.814062  0.259235  0.570378  1
  Sm  Sm37  1  0.488734  0.537562  0.608490  1
  Sm  Sm38  1  0.060421  0.554244  0.611205  1
  Sm  Sm39  1  1.002411  0.963210  0.599378  1
  Sm  Sm40  1  0.089995  0.266393  0.627109  1
  Sm  Sm41  1  0.424204  0.978335  0.588944  1
  Sm  Sm42  1  0.659178  0.269499  0.631588  1
  Sm  Sm43  1  0.324661  0.553869  0.670945  1
  Sm  Sm44  1  0.748230  0.550511  0.666020  1
  Sm  Sm45  1  0.716180  0.826091  0.654165  1
  Sm  Sm46  1  0.801310  0.117633  0.680427  1
  Sm  Sm47  1  0.146116  0.823789  0.647375  1
  Sm  Sm48  1  0.374549  0.115983  0.688434  1
  Sm  Sm49  1  0.015094  0.398741  0.729494  1
  Sm  Sm50  1  0.448658  0.389523  0.727152  1
  Sm  Sm51  1  0.404435  0.839301  0.705584  1
  Sm  Sm52  1  0.640983  0.131121  0.746608  1
  Sm  Sm53  1  0.985535  0.827990  0.713489  1
  Sm  Sm54  1  0.053516  0.116988  0.740107  1
  Al  Al55  1  0.446771  0.108904  0.288408  1
  Al  Al56  1  0.982855  0.155016  0.299145  1
  Al  Al57  1  0.858158  0.444680  0.242462  1
  Al  Al58  1  0.331440  0.881169  0.260258  1
  Al  Al59  1  0.407175  0.512968  0.264163  1
  Al  Al60  1  0.811341  0.827861  0.254133  1
  Al  Al61  1  0.176297  0.033727  0.319906  1
  Al  Al62  1  0.720507  0.083927  0.331893  1
  Al  Al63  1  0.642637  0.446353  0.338267  1
  Al  Al64  1  0.064341  0.806358  0.295675  1
  Al  Al65  1  0.094557  0.394929  0.320795  1
  Al  Al66  1  0.522734  0.753308  0.277601  1
  Al  Al67  1  0.941172  0.012929  0.413861  1
  Al  Al68  1  0.401101  0.960673  0.402463  1
  Al  Al69  1  0.382521  0.373245  0.372218  1
  Al  Al70  1  0.747923  0.675967  0.362869  1
  Al  Al71  1  0.834985  0.317367  0.358624  1
  Al  Al72  1  0.290895  0.730508  0.375027  1
  Al  Al73  1  0.706462  0.946480  0.453893  1
  Al  Al74  1  0.145429  0.881758  0.437634  1
  Al  Al75  1  0.061786  0.268150  0.439240  1
  Al  Al76  1  0.491859  0.599126  0.397135  1
  Al  Al77  1  0.599310  0.291552  0.455890  1
  Al  Al78  1  0.030174  0.655989  0.409427  1
  Al  Al79  1  0.380529  0.884277  0.527899  1
  Al  Al80  1  0.861834  0.838271  0.496031  1
  Al  Al81  1  0.797613  0.177916  0.479205  1
  Al  Al82  1  0.233266  0.558228  0.496558  1
  Al  Al83  1  0.367950  0.236029  0.498042  1
  Al  Al84  1  0.723443  0.587043  0.485520  1
  Al  Al85  1  0.112274  0.771139  0.569391  1
  Al  Al86  1  0.650320  0.827392  0.589445  1
  Al  Al87  1  0.516034  0.122378  0.532174  1
  Al  Al88  1  0.010556  0.529608  0.543833  1
  Al  Al89  1  0.053055  0.169620  0.564947  1
  Al  Al90  1  0.453208  0.479849  0.523339  1
  Al  Al91  1  0.850152  0.694560  0.610988  1
  Al  Al92  1  0.397398  0.751951  0.624830  1
  Al  Al93  1  0.301604  0.123580  0.627161  1
  Al  Al94  1  0.740626  0.468804  0.584517  1
  Al  Al95  1  0.757073  0.054931  0.612200  1
  Al  Al96  1  0.184178  0.410194  0.571121  1
  Al  Al97  1  0.618301  0.676038  0.710142  1
  Al  Al98  1  0.075567  0.623941  0.691932  1
  Al  Al99  1  0.048777  0.033789  0.666981  1
  Al  Al100  1  0.418910  0.346473  0.656528  1
  Al  Al101  1  0.505368  0.978014  0.649624  1
  Al  Al102  1  0.960898  0.402449  0.666357  1
  Al  Al103  1  0.332683  0.598695  0.733788  1
  Al  Al104  1  0.809851  0.546812  0.727272  1
  Al  Al105  1  0.736371  0.917837  0.721964  1
  Al  Al106  1  0.161432  0.272917  0.688740  1
  Al  Al107  1  0.286079  0.989272  0.744113  1
  Al  Al108  1  0.694760  0.319767  0.698490  1
