# generated using pymatgen
data_SmAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33643106
_cell_length_b   15.24524306
_cell_length_c   46.59634888
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.03228333
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl3
_chemical_formula_sum   'Sm24 Al72'
_cell_volume   4402.33678749
_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  0.576545  0.645550  0.356838  1
  Sm  Sm2  1  0.289978  0.072578  0.284422  1
  Sm  Sm3  1  0.432918  0.358338  0.319070  1
  Sm  Sm4  1  0.169825  0.832458  0.339994  1
  Sm  Sm5  1  0.314018  0.120731  0.376455  1
  Sm  Sm6  1  0.027148  0.547213  0.303143  1
  Sm  Sm7  1  0.007236  0.506677  0.468049  1
  Sm  Sm8  1  0.719572  0.931530  0.393806  1
  Sm  Sm9  1  0.864078  0.220451  0.430998  1
  Sm  Sm10  1  0.601643  0.695843  0.450574  1
  Sm  Sm11  1  0.745319  0.983106  0.487446  1
  Sm  Sm12  1  0.457458  0.407544  0.413229  1
  Sm  Sm13  1  0.439214  0.370392  0.579382  1
  Sm  Sm14  1  0.151352  0.794830  0.505165  1
  Sm  Sm15  1  0.295028  0.082093  0.542036  1
  Sm  Sm16  1  0.032594  0.557484  0.561613  1
  Sm  Sm17  1  0.177099  0.846406  0.598805  1
  Sm  Sm18  1  0.889435  0.271259  0.524562  1
  Sm  Sm19  1  0.869524  0.230723  0.689468  1
  Sm  Sm20  1  0.582654  0.657204  0.616155  1
  Sm  Sm21  1  0.726846  0.945478  0.652616  1
  Sm  Sm22  1  0.463754  0.419598  0.673541  1
  Sm  Sm23  1  0.606693  0.705358  0.708189  1
  Sm  Sm24  1  0.320127  0.132386  0.635773  1
  Al  Al25  1  0.673390  0.839621  0.333880  1
  Al  Al26  1  0.816774  0.126262  0.372207  1
  Al  Al27  1  0.531993  0.556972  0.297044  1
  Al  Al28  1  0.388603  0.718213  0.298371  1
  Al  Al29  1  0.529275  0.002586  0.336819  1
  Al  Al30  1  0.673045  0.291274  0.373330  1
  Al  Al31  1  0.836903  0.718194  0.298352  1
  Al  Al32  1  0.980604  0.002554  0.336803  1
  Al  Al33  1  0.125616  0.291244  0.373313  1
  Al  Al34  1  0.072558  0.637585  0.362327  1
  Al  Al35  1  0.784370  0.061419  0.288131  1
  Al  Al36  1  0.927973  0.348467  0.323553  1
  Al  Al37  1  0.930516  0.896341  0.285258  1
  Al  Al38  1  0.065886  0.187332  0.323125  1
  Al  Al39  1  0.218885  0.474544  0.359341  1
  Al  Al40  1  0.472919  0.896363  0.285266  1
  Al  Al41  1  0.628836  0.187366  0.323138  1
  Al  Al42  1  0.763098  0.474575  0.359364  1
  Al  Al43  1  0.104411  0.701377  0.445944  1
  Al  Al44  1  0.248550  0.989568  0.482617  1
  Al  Al45  1  0.961018  0.414658  0.408203  1
  Al  Al46  1  0.814735  0.577744  0.411008  1
  Al  Al47  1  0.960333  0.865776  0.447903  1
  Al  Al48  1  0.103543  0.153300  0.484948  1
  Al  Al49  1  0.270474  0.577715  0.410987  1
  Al  Al50  1  0.412977  0.865747  0.447883  1
  Al  Al51  1  0.557382  0.153271  0.484928  1
  Al  Al52  1  0.504476  0.501154  0.472549  1
  Al  Al53  1  0.216925  0.926236  0.398944  1
  Al  Al54  1  0.360439  0.213176  0.435869  1
  Al  Al55  1  0.361067  0.761621  0.396861  1
  Al  Al56  1  0.506524  0.049802  0.433523  1
  Al  Al57  1  0.647782  0.337025  0.470729  1
  Al  Al58  1  0.908083  0.761650  0.396881  1
  Al  Al59  1  0.050892  0.049831  0.433542  1
  Al  Al60  1  0.196945  0.337054  0.470748  1
  Al  Al61  1  0.536233  0.564760  0.556741  1
  Al  Al62  1  0.679747  0.851700  0.593667  1
  Al  Al63  1  0.392195  0.276782  0.520062  1
  Al  Al64  1  0.248890  0.440911  0.521882  1
  Al  Al65  1  0.390148  0.728133  0.559088  1
  Al  Al66  1  0.535605  0.016315  0.595749  1
  Al  Al67  1  0.699727  0.440882  0.521862  1
  Al  Al68  1  0.845779  0.728105  0.559069  1
  Al  Al69  1  0.988589  0.016286  0.595729  1
  Al  Al70  1  0.935654  0.363278  0.584408  1
  Al  Al71  1  0.648122  0.788368  0.509994  1
  Al  Al72  1  0.792261  0.076559  0.546666  1
  Al  Al73  1  0.793128  0.624636  0.507663  1
  Al  Al74  1  0.936339  0.912159  0.544708  1
  Al  Al75  1  0.081936  0.200192  0.581603  1
  Al  Al76  1  0.339290  0.624665  0.507683  1
  Al  Al77  1  0.483694  0.912189  0.544728  1
  Al  Al78  1  0.626198  0.200221  0.581624  1
  Al  Al79  1  0.968698  0.429468  0.669058  1
  Al  Al80  1  0.112302  0.716516  0.704480  1
  Al  Al81  1  0.824114  0.140351  0.630284  1
  Al  Al82  1  0.677787  0.303392  0.633270  1
  Al  Al83  1  0.830786  0.590604  0.669485  1
  Al  Al84  1  0.966156  0.881595  0.707353  1
  Al  Al85  1  0.133573  0.303361  0.633247  1
  Al  Al86  1  0.267835  0.590569  0.669473  1
  Al  Al87  1  0.423753  0.881573  0.707344  1
  Al  Al88  1  0.364679  0.220964  0.695567  1
  Al  Al89  1  0.079898  0.651674  0.620404  1
  Al  Al90  1  0.223282  0.938315  0.658731  1
  Al  Al91  1  0.223627  0.486662  0.619281  1
  Al  Al92  1  0.367397  0.775350  0.655792  1
  Al  Al93  1  0.508068  0.059722  0.694240  1
  Al  Al94  1  0.771055  0.486691  0.619298  1
  Al  Al95  1  0.916067  0.775381  0.655808  1
  Al  Al96  1  0.059769  0.059742  0.694259  1
