# generated using pymatgen
data_Sm161Al54
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.71677385
_cell_length_b   20.67563423
_cell_length_c   16.52547011
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm161Al54
_chemical_formula_sum   'Sm161 Al54'
_cell_volume   6130.06980852
_cell_formula_units_Z   1
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  0.347860  0.247122  0.617346  1
  Sm  Sm2  1  0.311960  0.268874  0.896317  1
  Sm  Sm3  1  0.225702  0.478486  0.257986  1
  Sm  Sm4  1  0.214524  0.485757  0.542733  1
  Sm  Sm5  1  0.200994  0.521378  0.936209  1
  Sm  Sm6  1  0.265354  0.898884  0.264200  1
  Sm  Sm7  1  0.306259  0.897268  0.595952  1
  Sm  Sm8  1  0.279780  0.882843  0.939718  1
  Sm  Sm9  1  0.598332  0.234384  0.288267  1
  Sm  Sm10  1  0.631125  0.245883  0.526716  1
  Sm  Sm11  1  0.579762  0.216901  0.886199  1
  Sm  Sm12  1  0.665895  0.563373  0.251515  1
  Sm  Sm13  1  0.652439  0.582096  0.626186  1
  Sm  Sm14  1  0.643756  0.585550  0.897133  1
  Sm  Sm15  1  0.544894  0.830536  0.249907  1
  Sm  Sm16  1  0.570937  0.834301  0.581072  1
  Sm  Sm17  1  0.521469  0.824928  0.959050  1
  Sm  Sm18  1  0.825166  0.160107  0.282268  1
  Sm  Sm19  1  0.889035  0.137867  0.590864  1
  Sm  Sm20  1  0.859287  0.195398  0.917188  1
  Sm  Sm21  1  0.958053  0.527100  0.255714  1
  Sm  Sm22  1  0.906915  0.553079  0.539836  1
  Sm  Sm23  1  0.938158  0.590769  0.916030  1
  Sm  Sm24  1  0.001712  0.952337  0.240759  1
  Sm  Sm25  1  0.996665  0.914217  0.574606  1
  Sm  Sm26  1  0.964019  0.925742  0.921513  1
  Sm  Sm27  1  0.318199  0.140738  0.280985  1
  Sm  Sm28  1  0.283081  0.061230  0.621052  1
  Sm  Sm29  1  0.285731  0.092697  0.921348  1
  Sm  Sm30  1  0.249084  0.314811  0.256389  1
  Sm  Sm31  1  0.255168  0.334752  0.550995  1
  Sm  Sm32  1  0.207482  0.357421  0.887542  1
  Sm  Sm33  1  0.306841  0.750623  0.280220  1
  Sm  Sm34  1  0.292633  0.721956  0.568421  1
  Sm  Sm35  1  0.278202  0.725309  0.951107  1
  Sm  Sm36  1  0.601654  0.075372  0.253094  1
  Sm  Sm37  1  0.564257  0.032447  0.587780  1
  Sm  Sm38  1  0.591208  0.061179  0.934470  1
  Sm  Sm39  1  0.631571  0.393165  0.186894  1
  Sm  Sm40  1  0.692498  0.449493  0.566383  1
  Sm  Sm41  1  0.629645  0.396707  0.922854  1
  Sm  Sm42  1  0.572860  0.672421  0.266649  1
  Sm  Sm43  1  0.560492  0.661136  0.552577  1
  Sm  Sm44  1  0.547221  0.673142  0.937890  1
  Sm  Sm45  1  0.873602  0.010430  0.266315  1
  Sm  Sm46  1  0.848535  0.960624  0.549905  1
  Sm  Sm47  1  0.874151  0.019557  0.918044  1
  Sm  Sm48  1  0.918852  0.338502  0.280647  1
  Sm  Sm49  1  0.996993  0.442909  0.578555  1
  Sm  Sm50  1  0.960637  0.428133  0.907242  1
  Sm  Sm51  1  0.023593  0.805474  0.249022  1
  Sm  Sm52  1  0.987851  0.749181  0.558652  1
  Sm  Sm53  1  0.986299  0.787309  0.915034  1
  Sm  Sm54  1  0.162915  0.121546  0.226793  1
  Sm  Sm55  1  0.145758  0.089215  0.583544  1
  Sm  Sm56  1  0.106436  0.124913  0.887217  1
  Sm  Sm57  1  0.073975  0.305990  0.226592  1
  Sm  Sm58  1  0.059482  0.312796  0.575630  1
  Sm  Sm59  1  0.043176  0.335433  0.963481  1
  Sm  Sm60  1  0.125572  0.709380  0.253032  1
  Sm  Sm61  1  0.130244  0.720316  0.595501  1
  Sm  Sm62  1  0.119437  0.736845  0.881984  1
  Sm  Sm63  1  0.437831  0.067864  0.251483  1
  Sm  Sm64  1  0.453743  0.102756  0.593946  1
  Sm  Sm65  1  0.431230  0.065594  0.955282  1
  Sm  Sm66  1  0.463753  0.407957  0.241130  1
  Sm  Sm67  1  0.483938  0.427441  0.557614  1
  Sm  Sm68  1  0.457095  0.459844  0.919410  1
  Sm  Sm69  1  0.399501  0.648275  0.260140  1
  Sm  Sm70  1  0.418299  0.689799  0.643304  1
  Sm  Sm71  1  0.394011  0.676898  0.863243  1
  Sm  Sm72  1  0.711306  0.988184  0.239277  1
  Sm  Sm73  1  0.714979  0.022880  0.579594  1
  Sm  Sm74  1  0.709277  0.993679  0.936030  1
  Sm  Sm75  1  0.801793  0.398679  0.188925  1
  Sm  Sm76  1  0.803362  0.366470  0.586454  1
  Sm  Sm77  1  0.785857  0.393347  0.947018  1
  Sm  Sm78  1  0.834385  0.739158  0.241524  1
  Sm  Sm79  1  0.819623  0.765631  0.588275  1
  Sm  Sm80  1  0.766093  0.801816  0.928107  1
  Sm  Sm81  1  0.009044  0.068590  0.084399  1
  Sm  Sm82  1  0.996705  0.047969  0.432122  1
  Sm  Sm83  1  0.980793  0.052625  0.710223  1
  Sm  Sm84  1  0.048340  0.444079  0.132879  1
  Sm  Sm85  1  0.067272  0.430058  0.390756  1
  Sm  Sm86  1  0.090372  0.440294  0.759719  1
  Sm  Sm87  1  0.142763  0.835380  0.081350  1
  Sm  Sm88  1  0.144285  0.835206  0.429718  1
  Sm  Sm89  1  0.121751  0.841460  0.718209  1
  Sm  Sm90  1  0.471452  0.201760  0.092578  1
  Sm  Sm91  1  0.445452  0.195490  0.441829  1
  Sm  Sm92  1  0.433913  0.188094  0.760171  1
  Sm  Sm93  1  0.327135  0.406971  0.064240  1
  Sm  Sm94  1  0.322806  0.450051  0.398501  1
  Sm  Sm95  1  0.348781  0.393664  0.735903  1
  Sm  Sm96  1  0.405739  0.773780  0.101977  1
  Sm  Sm97  1  0.430690  0.796775  0.431794  1
  Sm  Sm98  1  0.392440  0.822779  0.763992  1
  Sm  Sm99  1  0.735095  0.116615  0.085454  1
  Sm  Sm100  1  0.712444  0.145925  0.428435  1
  Sm  Sm101  1  0.705414  0.105514  0.774755  1
  Sm  Sm102  1  0.780007  0.517574  0.085125  1
  Sm  Sm103  1  0.768075  0.480781  0.363805  1
  Sm  Sm104  1  0.821864  0.492976  0.745967  1
  Sm  Sm105  1  0.683311  0.704031  0.105049  1
  Sm  Sm106  1  0.694428  0.717311  0.418335  1
  Sm  Sm107  1  0.666170  0.731369  0.736269  1
  Sm  Sm108  1  0.931774  0.184056  0.123902  1
  Sm  Sm109  1  0.976329  0.199874  0.395146  1
  Sm  Sm110  1  0.021110  0.225125  0.779451  1
  Sm  Sm111  1  0.097359  0.622236  0.057933  1
  Sm  Sm112  1  0.088695  0.607729  0.443521  1
  Sm  Sm113  1  0.034846  0.582483  0.714353  1
  Sm  Sm114  1  0.105273  0.975442  0.049439  1
  Sm  Sm115  1  0.125513  0.990079  0.401911  1
  Sm  Sm116  1  0.107015  0.987541  0.771774  1
  Sm  Sm117  1  0.341179  0.252490  0.118271  1
  Sm  Sm118  1  0.368836  0.306485  0.395437  1
  Sm  Sm119  1  0.512238  0.387670  0.766498  1
  Sm  Sm120  1  0.369323  0.584099  0.052306  1
  Sm  Sm121  1  0.399399  0.623801  0.458413  1
  Sm  Sm122  1  0.291886  0.526462  0.718212  1
  Sm  Sm123  1  0.394219  0.929925  0.104443  1
  Sm  Sm124  1  0.404292  0.939042  0.425391  1
  Sm  Sm125  1  0.462256  0.013499  0.766310  1
  Sm  Sm126  1  0.652294  0.257685  0.078159  1
  Sm  Sm127  1  0.761963  0.324607  0.380325  1
  Sm  Sm128  1  0.754405  0.286737  0.783712  1
  Sm  Sm129  1  0.824300  0.688032  0.034042  1
  Sm  Sm130  1  0.820179  0.658685  0.433577  1
  Sm  Sm131  1  0.810507  0.688408  0.796818  1
  Sm  Sm132  1  0.676324  0.864797  0.082425  1
  Sm  Sm133  1  0.699035  0.883875  0.413976  1
  Sm  Sm134  1  0.738823  0.931783  0.726411  1
  Sm  Sm135  1  0.148168  0.254205  0.072999  1
  Sm  Sm136  1  0.160282  0.204011  0.417374  1
  Sm  Sm137  1  0.173481  0.217868  0.713590  1
  Sm  Sm138  1  0.236462  0.607627  0.131808  1
  Sm  Sm139  1  0.242698  0.610408  0.401506  1
  Sm  Sm140  1  0.229833  0.645205  0.755805  1
  Sm  Sm141  1  0.290992  0.033425  0.105151  1
  Sm  Sm142  1  0.297423  0.014463  0.427808  1
  Sm  Sm143  1  0.286567  0.972746  0.776998  1
  Sm  Sm144  1  0.509679  0.381251  0.050985  1
  Sm  Sm145  1  0.574561  0.377662  0.399120  1
  Sm  Sm146  1  0.635821  0.336519  0.723233  1
  Sm  Sm147  1  0.512341  0.549660  0.109952  1
  Sm  Sm148  1  0.506479  0.534274  0.393202  1
  Sm  Sm149  1  0.491355  0.575666  0.743603  1
  Sm  Sm150  1  0.564271  0.956339  0.102100  1
  Sm  Sm151  1  0.586474  0.961360  0.406721  1
  Sm  Sm152  1  0.570701  0.919125  0.765221  1
  Sm  Sm153  1  0.869778  0.308493  0.080109  1
  Sm  Sm154  1  0.876775  0.270394  0.486430  1
  Sm  Sm155  1  0.897985  0.271318  0.718768  1
  Sm  Sm156  1  0.968046  0.668166  0.107929  1
  Sm  Sm157  1  0.972158  0.662924  0.373214  1
  Sm  Sm158  1  0.955008  0.678369  0.738852  1
  Sm  Sm159  1  0.854129  0.886481  0.108937  1
  Sm  Sm160  1  0.865131  0.866333  0.384688  1
  Sm  Sm161  1  0.858605  0.878593  0.752671  1
  Al  Al162  1  0.200808  0.140652  0.037043  1
  Al  Al163  1  0.271824  0.147123  0.459575  1
  Al  Al164  1  0.254478  0.136827  0.761764  1
  Al  Al165  1  0.188386  0.424772  0.081923  1
  Al  Al166  1  0.149727  0.344805  0.404270  1
  Al  Al167  1  0.180161  0.365085  0.700045  1
  Al  Al168  1  0.250034  0.774519  0.116913  1
  Al  Al169  1  0.247639  0.778878  0.428513  1
  Al  Al170  1  0.238249  0.797244  0.751221  1
  Al  Al171  1  0.539813  0.094685  0.096978  1
  Al  Al172  1  0.535973  0.099993  0.420781  1
  Al  Al173  1  0.596833  0.170133  0.706301  1
  Al  Al174  1  0.648707  0.533357  0.064375  1
  Al  Al175  1  0.652853  0.543143  0.446935  1
  Al  Al176  1  0.683189  0.504708  0.763490  1
  Al  Al177  1  0.524098  0.716303  0.110561  1
  Al  Al178  1  0.547548  0.749327  0.406482  1
  Al  Al179  1  0.538613  0.759081  0.768278  1
  Al  Al180  1  0.820178  0.022354  0.090856  1
  Al  Al181  1  0.812032  0.057551  0.422305  1
  Al  Al182  1  0.850788  0.095938  0.770747  1
  Al  Al183  1  0.927362  0.493684  0.066046  1
  Al  Al184  1  0.921036  0.448195  0.420792  1
  Al  Al185  1  0.914886  0.421286  0.737546  1
  Al  Al186  1  0.966980  0.828353  0.091608  1
  Al  Al187  1  0.980103  0.825545  0.410452  1
  Al  Al188  1  0.966825  0.828511  0.733911  1
  Al  Al189  1  0.035459  0.144538  0.255921  1
  Al  Al190  1  0.052955  0.167540  0.569932  1
  Al  Al191  1  0.003772  0.176913  0.960334  1
  Al  Al192  1  0.125053  0.563495  0.267255  1
  Al  Al193  1  0.150056  0.575263  0.601631  1
  Al  Al194  1  0.100240  0.581786  0.879473  1
  Al  Al195  1  0.164364  0.965912  0.229927  1
  Al  Al196  1  0.150238  0.926806  0.567059  1
  Al  Al197  1  0.152427  0.913039  0.906170  1
  Al  Al198  1  0.473325  0.268701  0.260794  1
  Al  Al199  1  0.519624  0.297365  0.591372  1
  Al  Al200  1  0.450917  0.256734  0.925584  1
  Al  Al201  1  0.384512  0.499533  0.226753  1
  Al  Al202  1  0.390351  0.511482  0.583525  1
  Al  Al203  1  0.351887  0.513121  0.883697  1
  Al  Al204  1  0.453098  0.909225  0.264049  1
  Al  Al205  1  0.445527  0.872541  0.594308  1
  Al  Al206  1  0.439913  0.908287  0.929784  1
  Al  Al207  1  0.739087  0.231579  0.219635  1
  Al  Al208  1  0.740732  0.188843  0.613743  1
  Al  Al209  1  0.728322  0.216410  0.948716  1
  Al  Al210  1  0.849059  0.602765  0.242361  1
  Al  Al211  1  0.816133  0.616273  0.627017  1
  Al  Al212  1  0.773870  0.547736  0.902492  1
  Al  Al213  1  0.729312  0.828589  0.251918  1
  Al  Al214  1  0.707011  0.817480  0.578638  1
  Al  Al215  1  0.654597  0.839186  0.870461  1
