# generated using pymatgen
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.61186472
_cell_length_b   13.00524071
_cell_length_c   47.38579755
_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   'Sm64 Al64'
_cell_volume   7155.97075571
_cell_formula_units_Z   64
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  0.488563  0.605248  0.317985  1
  Sm  Sm2  1  0.487427  0.021503  0.372828  1
  Sm  Sm3  1  0.173611  0.531410  0.302288  1
  Sm  Sm4  1  0.174947  0.930013  0.361111  1
  Sm  Sm5  1  0.988123  0.745171  0.330460  1
  Sm  Sm6  1  0.986428  0.325215  0.277073  1
  Sm  Sm7  1  0.677049  0.834481  0.346723  1
  Sm  Sm8  1  0.679194  0.425642  0.285351  1
  Sm  Sm9  1  0.328160  0.430013  0.361111  1
  Sm  Sm10  1  0.329495  0.031410  0.302288  1
  Sm  Sm11  1  0.015679  0.521503  0.372828  1
  Sm  Sm12  1  0.014543  0.105248  0.317985  1
  Sm  Sm13  1  0.823912  0.925642  0.285351  1
  Sm  Sm14  1  0.826057  0.334481  0.346723  1
  Sm  Sm15  1  0.516678  0.825215  0.277073  1
  Sm  Sm16  1  0.514983  0.245171  0.330460  1
  Sm  Sm17  1  0.486991  0.427951  0.428687  1
  Sm  Sm18  1  0.488978  0.835697  0.483248  1
  Sm  Sm19  1  0.167247  0.338770  0.416435  1
  Sm  Sm20  1  0.168920  0.746863  0.471762  1
  Sm  Sm21  1  0.987812  0.566211  0.445390  1
  Sm  Sm22  1  0.987601  0.156416  0.389876  1
  Sm  Sm23  1  0.668801  0.654305  0.456920  1
  Sm  Sm24  1  0.665704  0.245413  0.401628  1
  Sm  Sm25  1  0.334186  0.246863  0.471762  1
  Sm  Sm26  1  0.335859  0.838770  0.416435  1
  Sm  Sm27  1  0.014128  0.335697  0.483248  1
  Sm  Sm28  1  0.016115  0.927951  0.428687  1
  Sm  Sm29  1  0.837402  0.745413  0.401628  1
  Sm  Sm30  1  0.834305  0.154305  0.456920  1
  Sm  Sm31  1  0.515505  0.656416  0.389876  1
  Sm  Sm32  1  0.515294  0.066211  0.445390  1
  Sm  Sm33  1  0.487812  0.243464  0.538996  1
  Sm  Sm34  1  0.487601  0.653259  0.594510  1
  Sm  Sm35  1  0.168801  0.155370  0.527466  1
  Sm  Sm36  1  0.165704  0.564262  0.582758  1
  Sm  Sm37  1  0.986991  0.381724  0.555699  1
  Sm  Sm38  1  0.988978  0.973977  0.501138  1
  Sm  Sm39  1  0.667247  0.470905  0.567951  1
  Sm  Sm40  1  0.668920  0.062812  0.512624  1
  Sm  Sm41  1  0.337402  0.064262  0.582758  1
  Sm  Sm42  1  0.334305  0.655370  0.527466  1
  Sm  Sm43  1  0.015505  0.153259  0.594510  1
  Sm  Sm44  1  0.015294  0.743464  0.538996  1
  Sm  Sm45  1  0.834186  0.562812  0.512624  1
  Sm  Sm46  1  0.835859  0.970905  0.567951  1
  Sm  Sm47  1  0.514128  0.473977  0.501138  1
  Sm  Sm48  1  0.516115  0.881724  0.555699  1
  Sm  Sm49  1  0.488123  0.064504  0.653926  1
  Sm  Sm50  1  0.486428  0.484460  0.707313  1
  Sm  Sm51  1  0.177049  0.975193  0.637663  1
  Sm  Sm52  1  0.179194  0.384032  0.699035  1
  Sm  Sm53  1  0.988563  0.204427  0.666401  1
  Sm  Sm54  1  0.987427  0.788172  0.611558  1
  Sm  Sm55  1  0.673611  0.278265  0.682098  1
  Sm  Sm56  1  0.674947  0.879661  0.623275  1
  Sm  Sm57  1  0.323912  0.884032  0.699035  1
  Sm  Sm58  1  0.326057  0.475193  0.637663  1
  Sm  Sm59  1  0.016678  0.984460  0.707313  1
  Sm  Sm60  1  0.014983  0.564504  0.653926  1
  Sm  Sm61  1  0.828160  0.379661  0.623275  1
  Sm  Sm62  1  0.829495  0.778265  0.682098  1
  Sm  Sm63  1  0.515679  0.288172  0.611558  1
  Sm  Sm64  1  0.514543  0.704427  0.666401  1
  Al  Al65  1  0.253711  0.672099  0.358576  1
  Al  Al66  1  0.243183  0.269107  0.305713  1
  Al  Al67  1  0.752220  0.593282  0.349101  1
  Al  Al68  1  0.757759  0.181458  0.295853  1
  Al  Al69  1  0.413308  0.825703  0.344245  1
  Al  Al70  1  0.403892  0.407935  0.291039  1
  Al  Al71  1  0.907722  0.523590  0.309976  1
  Al  Al72  1  0.909510  0.941969  0.361449  1
  Al  Al73  1  0.259923  0.769107  0.305713  1
  Al  Al74  1  0.249395  0.172099  0.358576  1
  Al  Al75  1  0.745347  0.681458  0.295853  1
  Al  Al76  1  0.750886  0.093282  0.349101  1
  Al  Al77  1  0.099214  0.907935  0.291039  1
  Al  Al78  1  0.089798  0.325703  0.344245  1
  Al  Al79  1  0.593596  0.441969  0.361449  1
  Al  Al80  1  0.595384  0.023590  0.309976  1
  Al  Al81  1  0.250047  0.486592  0.469679  1
  Al  Al82  1  0.251369  0.079859  0.414220  1
  Al  Al83  1  0.752050  0.414903  0.459171  1
  Al  Al84  1  0.754751  1.004620  0.403478  1
  Al  Al85  1  0.403154  0.638208  0.455969  1
  Al  Al86  1  0.402619  0.232684  0.399061  1
  Al  Al87  1  0.902207  0.354658  0.417328  1
  Al  Al88  1  0.903611  0.763367  0.473180  1
  Al  Al89  1  0.251737  0.579859  0.414220  1
  Al  Al90  1  0.253060  0.986592  0.469679  1
  Al  Al91  1  0.748355  0.504620  0.403478  1
  Al  Al92  1  0.751056  0.914903  0.459171  1
  Al  Al93  1  0.100487  0.732684  0.399061  1
  Al  Al94  1  0.099952  0.138208  0.455969  1
  Al  Al95  1  0.599495  0.263367  0.473180  1
  Al  Al96  1  0.600899  0.854658  0.417328  1
  Al  Al97  1  0.248355  0.305055  0.580908  1
  Al  Al98  1  0.251056  0.894772  0.525215  1
  Al  Al99  1  0.751737  0.229816  0.570166  1
  Al  Al100  1  0.753060  0.823083  0.514707  1
  Al  Al101  1  0.402207  0.455017  0.567058  1
  Al  Al102  1  0.403611  0.046307  0.511206  1
  Al  Al103  1  0.903154  0.171467  0.528417  1
  Al  Al104  1  0.902619  0.576990  0.585325  1
  Al  Al105  1  0.252050  0.394772  0.525215  1
  Al  Al106  1  0.254751  0.805055  0.580908  1
  Al  Al107  1  0.750047  0.323083  0.514707  1
  Al  Al108  1  0.751369  0.729816  0.570166  1
  Al  Al109  1  0.099495  0.546307  0.511206  1
  Al  Al110  1  0.100899  0.955017  0.567058  1
  Al  Al111  1  0.600487  0.076990  0.585325  1
  Al  Al112  1  0.599952  0.671467  0.528417  1
  Al  Al113  1  0.245347  0.128217  0.688533  1
  Al  Al114  1  0.250886  0.716393  0.635285  1
  Al  Al115  1  0.759923  0.040567  0.678673  1
  Al  Al116  1  0.749395  0.637575  0.625810  1
  Al  Al117  1  0.407722  0.286085  0.674410  1
  Al  Al118  1  0.409510  0.867706  0.622937  1
  Al  Al119  1  0.913308  0.983972  0.640141  1
  Al  Al120  1  0.903892  0.401740  0.693347  1
  Al  Al121  1  0.252220  0.216393  0.635285  1
  Al  Al122  1  0.257759  0.628217  0.688533  1
  Al  Al123  1  0.753711  0.137575  0.625810  1
  Al  Al124  1  0.743183  0.540567  0.678673  1
  Al  Al125  1  0.093596  0.367706  0.622937  1
  Al  Al126  1  0.095384  0.786085  0.674410  1
  Al  Al127  1  0.599214  0.901740  0.693347  1
  Al  Al128  1  0.589798  0.483972  0.640141  1
