# generated using pymatgen
data_Sm3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.80897050
_cell_length_b   21.06033017
_cell_length_c   52.83094753
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.69000636
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Al
_chemical_formula_sum   'Sm90 Al30'
_cell_volume   7476.12024174
_cell_formula_units_Z   30
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  0.945532  0.900261  0.353635  1
  Sm  Sm2  1  0.534114  0.666762  0.314454  1
  Sm  Sm3  1  0.238557  0.277719  0.256263  1
  Sm  Sm4  1  0.320525  0.958912  0.310430  1
  Sm  Sm5  1  0.046801  0.629368  0.308649  1
  Sm  Sm6  1  0.774788  0.192043  0.274185  1
  Sm  Sm7  1  0.658176  0.044258  0.327883  1
  Sm  Sm8  1  0.260999  0.691054  0.245944  1
  Sm  Sm9  1  0.630798  0.496344  0.318098  1
  Sm  Sm10  1  0.880544  0.973518  0.270025  1
  Sm  Sm11  1  0.736981  0.829294  0.307170  1
  Sm  Sm12  1  0.135899  0.438346  0.284924  1
  Sm  Sm13  1  0.349528  0.079290  0.260870  1
  Sm  Sm14  1  0.221289  0.805884  0.291239  1
  Sm  Sm15  1  0.661590  0.394670  0.260852  1
  Sm  Sm16  1  0.442195  0.876555  0.244432  1
  Sm  Sm17  1  0.816915  0.574331  0.255339  1
  Sm  Sm18  1  0.471710  0.336200  0.322269  1
  Sm  Sm19  1  0.785525  0.169455  0.414688  1
  Sm  Sm20  1  0.517189  0.693217  0.431501  1
  Sm  Sm21  1  0.969930  0.374998  0.354471  1
  Sm  Sm22  1  0.299935  0.088264  0.431429  1
  Sm  Sm23  1  0.035548  0.649425  0.427957  1
  Sm  Sm24  1  0.423384  0.427316  0.379438  1
  Sm  Sm25  1  0.304373  0.229887  0.378898  1
  Sm  Sm26  1  0.208661  0.794007  0.396683  1
  Sm  Sm27  1  0.622842  0.533991  0.444011  1
  Sm  Sm28  1  0.796275  0.203183  0.344885  1
  Sm  Sm29  1  0.444402  0.934874  0.376633  1
  Sm  Sm30  1  0.838414  0.553157  0.376787  1
  Sm  Sm31  1  0.290690  0.187542  0.316178  1
  Sm  Sm32  1  0.821075  0.987853  0.413812  1
  Sm  Sm33  1  0.317618  0.613156  0.372836  1
  Sm  Sm34  1  0.101777  0.066722  0.366456  1
  Sm  Sm35  1  0.748982  0.732810  0.370920  1
  Sm  Sm36  1  0.165474  0.485362  0.429808  1
  Sm  Sm37  1  0.714572  0.173699  0.535444  1
  Sm  Sm38  1  0.451324  0.826241  0.489808  1
  Sm  Sm39  1  0.923913  0.403466  0.477312  1
  Sm  Sm40  1  0.149853  0.223146  0.549548  1
  Sm  Sm41  1  0.919149  0.887670  0.488041  1
  Sm  Sm42  1  0.410692  0.453669  0.502452  1
  Sm  Sm43  1  0.342696  0.298892  0.500234  1
  Sm  Sm44  1  0.243492  0.916620  0.437684  1
  Sm  Sm45  1  0.517913  0.688506  0.550429  1
  Sm  Sm46  1  0.538041  0.348205  0.442336  1
  Sm  Sm47  1  0.328700  0.118439  0.500469  1
  Sm  Sm48  1  0.801289  0.695663  0.487973  1
  Sm  Sm49  1  0.102760  0.298759  0.428232  1
  Sm  Sm50  1  0.841921  0.068235  0.475328  1
  Sm  Sm51  1  0.333464  0.634234  0.489739  1
  Sm  Sm52  1  0.909917  0.223013  0.477546  1
  Sm  Sm53  1  0.734700  0.833398  0.427351  1
  Sm  Sm54  1  0.009121  0.605285  0.540096  1
  Sm  Sm55  1  0.456337  0.318721  0.632895  1
  Sm  Sm56  1  0.414199  0.968748  0.600993  1
  Sm  Sm57  1  0.808211  0.587031  0.601148  1
  Sm  Sm58  1  0.961923  0.334363  0.661602  1
  Sm  Sm59  1  0.934995  0.908748  0.604944  1
  Sm  Sm60  1  0.431538  0.534051  0.563969  1
  Sm  Sm61  1  0.150836  0.455183  0.611324  1
  Sm  Sm62  1  0.087139  0.036542  0.547972  1
  Sm  Sm63  1  0.503631  0.789094  0.606861  1
  Sm  Sm64  1  0.467088  0.352449  0.563092  1
  Sm  Sm65  1  0.282682  0.146906  0.623309  1
  Sm  Sm66  1  0.735423  0.828687  0.546279  1
  Sm  Sm67  1  0.952678  0.433640  0.546351  1
  Sm  Sm68  1  0.829229  0.094588  0.598342  1
  Sm  Sm69  1  0.217065  0.872479  0.549823  1
  Sm  Sm70  1  0.948240  0.292018  0.598882  1
  Sm  Sm71  1  0.629771  0.987913  0.533769  1
  Sm  Sm72  1  0.043951  0.727897  0.581097  1
  Sm  Sm73  1  0.372068  0.548386  0.707755  1
  Sm  Sm74  1  0.116714  0.083558  0.692856  1
  Sm  Sm75  1  0.515631  0.692610  0.670611  1
  Sm  Sm76  1  0.903084  0.442614  0.716911  1
  Sm  Sm77  1  0.591022  0.127235  0.716928  1
  Sm  Sm78  1  0.031324  0.716021  0.686541  1
  Sm  Sm79  1  0.810418  0.645349  0.733348  1
  Sm  Sm80  1  0.780903  0.185704  0.655511  1
  Sm  Sm81  1  0.435698  0.947573  0.722441  1
  Sm  Sm82  1  0.307081  0.621643  0.624145  1
  Sm  Sm83  1  0.014055  0.244185  0.721517  1
  Sm  Sm84  1  0.718499  0.855143  0.663326  1
  Sm  Sm85  1  0.932088  0.562992  0.667350  1
  Sm  Sm86  1  0.477824  0.329862  0.703596  1
  Sm  Sm87  1  0.205811  0.892536  0.669131  1
  Sm  Sm88  1  0.594437  0.477647  0.649897  1
  Sm  Sm89  1  0.621815  0.025561  0.659682  1
  Sm  Sm90  1  0.991614  0.830850  0.731837  1
  Al  Al91  1  0.912416  0.826684  0.249209  1
  Al  Al92  1  0.371923  0.553610  0.272102  1
  Al  Al93  1  0.940020  0.310206  0.302590  1
  Al  Al94  1  0.030509  0.085096  0.305848  1
  Al  Al95  1  0.733207  0.725272  0.266677  1
  Al  Al96  1  0.160361  0.497572  0.336892  1
  Al  Al97  1  0.546804  0.090862  0.380278  1
  Al  Al98  1  0.125566  0.743006  0.341635  1
  Al  Al99  1  0.822670  0.420817  0.409392  1
  Al  Al100  1  0.717857  0.301514  0.388427  1
  Al  Al101  1  0.403481  0.819778  0.343707  1
  Al  Al102  1  0.020453  0.547755  0.480000  1
  Al  Al103  1  0.467365  0.202928  0.456601  1
  Al  Al104  1  0.131635  0.768232  0.458494  1
  Al  Al105  1  0.703067  0.545706  0.509921  1
  Al  Al106  1  0.785247  0.318976  0.521179  1
  Al  Al107  1  0.549545  0.976199  0.467860  1
  Al  Al108  1  0.120978  0.753672  0.519286  1
  Al  Al109  1  0.534755  0.220390  0.589353  1
  Al  Al110  1  0.232159  0.974150  0.497780  1
  Al  Al111  1  0.849132  0.702127  0.634073  1
  Al  Al112  1  0.705809  0.431042  0.597502  1
  Al  Al113  1  0.429943  0.101088  0.568388  1
  Al  Al114  1  0.127047  0.778899  0.636145  1
  Al  Al115  1  0.222104  0.436809  0.671932  1
  Al  Al116  1  0.092252  0.024333  0.640888  1
  Al  Al117  1  0.519406  0.796632  0.711104  1
  Al  Al118  1  0.340196  0.695221  0.728571  1
  Al  Al119  1  0.312593  0.211699  0.675190  1
  Al  Al120  1  0.880690  0.968295  0.705678  1
