# generated using pymatgen
data_Sm3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84806900
_cell_length_b   18.80358206
_cell_length_c   47.98541211
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.57687107
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Al
_chemical_formula_sum   'Sm72 Al24'
_cell_volume   6077.03387075
_cell_formula_units_Z   24
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  0.818580  0.721543  0.280224  1
  Sm  Sm2  1  0.448872  0.388444  0.353101  1
  Sm  Sm3  1  0.975239  0.030816  0.252607  1
  Sm  Sm4  1  0.303089  0.740626  0.313692  1
  Sm  Sm5  1  0.941170  0.330544  0.319229  1
  Sm  Sm6  1  0.449671  0.116141  0.251768  1
  Sm  Sm7  1  0.503331  0.902998  0.258057  1
  Sm  Sm8  1  0.114513  0.535088  0.299338  1
  Sm  Sm9  1  0.764876  0.190110  0.359177  1
  Sm  Sm10  1  0.682705  0.018695  0.318571  1
  Sm  Sm11  1  0.350016  0.572963  0.361979  1
  Sm  Sm12  1  0.936457  0.249724  0.249851  1
  Sm  Sm13  1  0.218887  0.971848  0.318142  1
  Sm  Sm14  1  0.803868  0.689760  0.356855  1
  Sm  Sm15  1  0.428360  0.296060  0.289252  1
  Sm  Sm16  1  0.970855  0.847137  0.353325  1
  Sm  Sm17  1  0.623769  0.458663  0.279912  1
  Sm  Sm18  1  0.194184  0.147470  0.315053  1
  Sm  Sm19  1  0.768908  0.766781  0.428250  1
  Sm  Sm20  1  0.628825  0.464762  0.436553  1
  Sm  Sm21  1  0.939152  0.021147  0.381011  1
  Sm  Sm22  1  0.291024  0.726801  0.399240  1
  Sm  Sm23  1  0.173590  0.391358  0.461438  1
  Sm  Sm24  1  0.365304  0.095740  0.388593  1
  Sm  Sm25  1  0.463182  0.892748  0.382051  1
  Sm  Sm26  1  0.086295  0.595489  0.437074  1
  Sm  Sm27  1  0.738331  0.302309  0.482309  1
  Sm  Sm28  1  0.662355  0.952018  0.442524  1
  Sm  Sm29  1  0.554725  0.652977  0.473171  1
  Sm  Sm30  1  0.960049  0.326564  0.395887  1
  Sm  Sm31  1  0.138444  0.014215  0.451434  1
  Sm  Sm32  1  0.035271  0.678473  0.507992  1
  Sm  Sm33  1  0.487690  0.274121  0.419756  1
  Sm  Sm34  1  0.224269  0.825978  0.469076  1
  Sm  Sm35  1  0.874238  0.495620  0.363284  1
  Sm  Sm36  1  0.062516  0.194005  0.440979  1
  Sm  Sm37  1  0.949647  0.839654  0.545804  1
  Sm  Sm38  1  0.651953  0.465108  0.592442  1
  Sm  Sm39  1  0.057277  0.138695  0.515157  1
  Sm  Sm40  1  0.473558  0.777457  0.536894  1
  Sm  Sm41  1  0.124312  0.517551  0.568573  1
  Sm  Sm42  1  0.576731  0.113199  0.480337  1
  Sm  Sm43  1  0.387733  0.965694  0.519252  1
  Sm  Sm44  1  0.549486  0.597667  0.547349  1
  Sm  Sm45  1  0.737764  0.296052  0.625045  1
  Sm  Sm46  1  0.843094  0.024891  0.560078  1
  Sm  Sm47  1  0.672850  0.770525  0.607317  1
  Sm  Sm48  1  0.983177  0.326910  0.551776  1
  Sm  Sm49  1  0.320978  0.064871  0.589088  1
  Sm  Sm50  1  0.246698  0.695932  0.599735  1
  Sm  Sm51  1  0.438412  0.400314  0.526890  1
  Sm  Sm52  1  0.148820  0.898924  0.606277  1
  Sm  Sm53  1  0.873671  0.489363  0.506019  1
  Sm  Sm54  1  0.525707  0.196183  0.551254  1
  Sm  Sm55  1  0.929297  0.772977  0.669757  1
  Sm  Sm56  1  0.675545  0.541948  0.738477  1
  Sm  Sm57  1  0.261986  0.218709  0.626350  1
  Sm  Sm58  1  0.393115  0.819824  0.670186  1
  Sm  Sm59  1  0.183642  0.495612  0.699076  1
  Sm  Sm60  1  0.808134  0.101912  0.631474  1
  Sm  Sm61  1  0.641147  0.944535  0.635004  1
  Sm  Sm62  1  0.417818  0.644202  0.673275  1
  Sm  Sm63  1  0.988233  0.333009  0.708416  1
  Sm  Sm64  1  0.793422  0.070129  0.708105  1
  Sm  Sm65  1  0.636763  0.760856  0.735721  1
  Sm  Sm66  1  0.163130  0.403228  0.635227  1
  Sm  Sm67  1  0.308913  0.051046  0.674636  1
  Sm  Sm68  1  0.162331  0.675531  0.736560  1
  Sm  Sm69  1  0.670831  0.461128  0.669099  1
  Sm  Sm70  1  0.108671  0.888674  0.730271  1
  Sm  Sm71  1  0.847126  0.601562  0.629151  1
  Sm  Sm72  1  0.497489  0.256584  0.688991  1
  Al  Al73  1  0.596799  0.849592  0.319495  1
  Al  Al74  1  0.075985  0.400724  0.263541  1
  Al  Al75  1  0.753616  0.163602  0.295243  1
  Al  Al76  1  0.951949  0.878463  0.286968  1
  Al  Al77  1  0.631822  0.598134  0.311984  1
  Al  Al78  1  0.295421  0.247508  0.358351  1
  Al  Al79  1  0.722951  0.826818  0.488531  1
  Al  Al80  1  0.227106  0.451327  0.404763  1
  Al  Al81  1  0.723619  0.118843  0.422767  1
  Al  Al82  1  0.051972  0.881026  0.413921  1
  Al  Al83  1  0.661804  0.609573  0.409221  1
  Al  Al84  1  0.287246  0.258427  0.496448  1
  Al  Al85  1  0.560029  0.910646  0.574408  1
  Al  Al86  1  0.324756  0.533245  0.491880  1
  Al  Al87  1  0.950198  0.182099  0.579108  1
  Al  Al88  1  0.889051  0.964854  0.499797  1
  Al  Al89  1  0.888383  0.672829  0.565561  1
  Al  Al90  1  0.384896  0.340345  0.583566  1
  Al  Al91  1  0.660053  0.913209  0.701360  1
  Al  Al92  1  0.316581  0.544164  0.629977  1
  Al  Al93  1  0.980180  0.193538  0.676344  1
  Al  Al94  1  0.015203  0.942080  0.668833  1
  Al  Al95  1  0.858386  0.628070  0.693086  1
  Al  Al96  1  0.536017  0.390948  0.724787  1
