# generated using pymatgen
data_SmAl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97738875
_cell_length_b   22.52594244
_cell_length_c   48.12446125
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.50646238
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl4
_chemical_formula_sum   'Sm28 Al112'
_cell_volume   6424.4412916
_cell_formula_units_Z   28
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  0.271185  0.935684  0.279781  1
  Sm  Sm2  1  0.030505  0.415761  0.310016  1
  Sm  Sm3  1  0.644302  0.188119  0.295281  1
  Sm  Sm4  1  0.403150  0.671666  0.321420  1
  Sm  Sm5  1  0.775771  0.927541  0.340419  1
  Sm  Sm6  1  0.537512  0.402195  0.369495  1
  Sm  Sm7  1  0.160630  0.154761  0.354575  1
  Sm  Sm8  1  0.911606  0.654465  0.382744  1
  Sm  Sm9  1  0.288565  0.900849  0.402595  1
  Sm  Sm10  1  0.044677  0.388078  0.432627  1
  Sm  Sm11  1  0.668108  0.140708  0.419356  1
  Sm  Sm12  1  0.421507  0.634652  0.445300  1
  Sm  Sm13  1  0.799835  0.877854  0.464407  1
  Sm  Sm14  1  0.551391  0.375009  0.494614  1
  Sm  Sm15  1  0.176391  0.124468  0.481698  1
  Sm  Sm16  1  0.930485  0.616718  0.507700  1
  Sm  Sm17  1  0.310736  0.855753  0.527106  1
  Sm  Sm18  1  0.060782  0.356366  0.556412  1
  Sm  Sm19  1  0.685731  0.105786  0.543392  1
  Sm  Sm20  1  0.436921  0.604741  0.571588  1
  Sm  Sm21  1  0.820887  0.834829  0.587810  1
  Sm  Sm22  1  0.569136  0.340331  0.618418  1
  Sm  Sm23  1  0.193643  0.090067  0.604952  1
  Sm  Sm24  1  0.948842  0.582696  0.637407  1
  Sm  Sm25  1  0.319587  0.835491  0.656237  1
  Sm  Sm26  1  0.077323  0.324274  0.678236  1
  Sm  Sm27  1  0.701429  0.073922  0.665857  1
  Sm  Sm28  1  0.466340  0.548112  0.694571  1
  Al  Al29  1  0.568473  0.339190  0.296392  1
  Al  Al30  1  0.299086  0.880374  0.339255  1
  Al  Al31  1  0.842335  0.284453  0.335383  1
  Al  Al32  1  0.079817  0.817475  0.301929  1
  Al  Al33  1  0.350019  0.284365  0.335438  1
  Al  Al34  1  0.580656  0.817431  0.301925  1
  Al  Al35  1  0.102485  0.272736  0.290039  1
  Al  Al36  1  0.874670  0.728537  0.322665  1
  Al  Al37  1  0.161680  0.152478  0.287382  1
  Al  Al38  1  0.932049  0.614035  0.319257  1
  Al  Al39  1  0.461249  0.056136  0.301104  1
  Al  Al40  1  0.709686  0.545472  0.286881  1
  Al  Al41  1  0.960478  0.055907  0.301691  1
  Al  Al42  1  0.222456  0.545456  0.286886  1
  Al  Al43  1  0.756249  0.966276  0.277493  1
  Al  Al44  1  0.511145  0.454868  0.309177  1
  Al  Al45  1  0.065127  0.346996  0.369169  1
  Al  Al46  1  0.817058  0.843765  0.395990  1
  Al  Al47  1  0.363484  0.268423  0.393819  1
  Al  Al48  1  0.591830  0.789179  0.359270  1
  Al  Al49  1  0.845150  0.268402  0.393883  1
  Al  Al50  1  0.097107  0.789118  0.359340  1
  Al  Al51  1  0.639882  0.196982  0.360051  1
  Al  Al52  1  0.384197  0.709717  0.385859  1
  Al  Al53  1  0.693733  0.084915  0.345007  1
  Al  Al54  1  0.439630  0.598098  0.378228  1
  Al  Al55  1  0.973150  0.030424  0.381761  1
  Al  Al56  1  0.231943  0.531940  0.343857  1
  Al  Al57  1  0.474000  0.030277  0.382141  1
  Al  Al58  1  0.713621  0.531964  0.343907  1
  Al  Al59  1  0.241907  0.998858  0.339553  1
  Al  Al60  1  0.008786  0.459545  0.372947  1
  Al  Al61  1  0.572785  0.331574  0.429120  1
  Al  Al62  1  0.327091  0.823167  0.459086  1
  Al  Al63  1  0.860069  0.257617  0.457670  1
  Al  Al64  1  0.107943  0.767242  0.422255  1
  Al  Al65  1  0.359534  0.257568  0.457739  1
  Al  Al66  1  0.602616  0.767226  0.422344  1
  Al  Al67  1  0.139296  0.198457  0.422566  1
  Al  Al68  1  0.893510  0.690775  0.448688  1
  Al  Al69  1  0.194296  0.087394  0.417307  1
  Al  Al70  1  0.948820  0.579861  0.441642  1
  Al  Al71  1  0.482723  0.010126  0.443710  1
  Al  Al72  1  0.725038  0.521691  0.406379  1
  Al  Al73  1  0.984599  0.010075  0.443817  1
  Al  Al74  1  0.230775  0.521600  0.406448  1
  Al  Al75  1  0.763059  0.952798  0.408283  1
  Al  Al76  1  0.517107  0.443579  0.433444  1
  Al  Al77  1  0.078337  0.320676  0.492001  1
  Al  Al78  1  0.837103  0.802974  0.521449  1
  Al  Al79  1  0.365359  0.241154  0.519220  1
  Al  Al80  1  0.616655  0.746610  0.485072  1
  Al  Al81  1  0.871012  0.241065  0.519276  1
  Al  Al82  1  0.114354  0.746540  0.485170  1
  Al  Al83  1  0.648304  0.180593  0.484719  1
  Al  Al84  1  0.404194  0.669652  0.511219  1
  Al  Al85  1  0.703974  0.069176  0.478674  1
  Al  Al86  1  0.460234  0.557292  0.504413  1
  Al  Al87  1  0.993581  0.991581  0.505406  1
  Al  Al88  1  0.235735  0.502687  0.468421  1
  Al  Al89  1  0.492066  0.991561  0.505488  1
  Al  Al90  1  0.739441  0.502596  0.468524  1
  Al  Al91  1  0.272603  0.932438  0.470120  1
  Al  Al92  1  0.022640  0.433126  0.499678  1
  Al  Al93  1  0.587550  0.302694  0.553717  1
  Al  Al94  1  0.360068  0.754151  0.592026  1
  Al  Al95  1  0.872903  0.222466  0.580600  1
  Al  Al96  1  0.123634  0.725066  0.547959  1
  Al  Al97  1  0.382539  0.222380  0.580652  1
  Al  Al98  1  0.628056  0.725208  0.548097  1
  Al  Al99  1  0.157952  0.161605  0.546038  1
  Al  Al100  1  0.897161  0.683526  0.590523  1
  Al  Al101  1  0.214069  0.048802  0.541620  1
  Al  Al102  1  0.952665  0.572825  0.570827  1
  Al  Al103  1  0.494859  0.966749  0.568127  1
  Al  Al104  1  0.756644  0.494690  0.536334  1
  Al  Al105  1  0.015605  0.966654  0.568183  1
  Al  Al106  1  0.226517  0.494729  0.536427  1
  Al  Al107  1  0.781586  0.913904  0.531302  1
  Al  Al108  1  0.531194  0.415180  0.559940  1
  Al  Al109  1  0.098004  0.282436  0.614834  1
  Al  Al110  1  0.852162  0.773708  0.689302  1
  Al  Al111  1  0.393274  0.209869  0.643515  1
  Al  Al112  1  0.656316  0.738414  0.634236  1
  Al  Al113  1  0.874721  0.209889  0.643553  1
  Al  Al114  1  0.081216  0.737596  0.634490  1
  Al  Al115  1  0.666752  0.144270  0.608661  1
  Al  Al116  1  0.414031  0.650064  0.634749  1
  Al  Al117  1  0.723041  0.031422  0.601584  1
  Al  Al118  1  0.471824  0.536381  0.629759  1
  Al  Al119  1  0.011955  0.948630  0.626475  1
  Al  Al120  1  0.241520  0.478187  0.593913  1
  Al  Al121  1  0.515817  0.948727  0.626511  1
  Al  Al122  1  0.759161  0.478029  0.593913  1
  Al  Al123  1  0.301412  0.874202  0.592408  1
  Al  Al124  1  0.041784  0.395372  0.619136  1
  Al  Al125  1  0.596040  0.286372  0.678280  1
  Al  Al126  1  0.370132  0.755965  0.708396  1
  Al  Al127  1  0.883801  0.196364  0.701039  1
  Al  Al128  1  0.157301  0.672749  0.681940  1
  Al  Al129  1  0.397583  0.196348  0.701045  1
  Al  Al130  1  0.654815  0.671913  0.681416  1
  Al  Al131  1  0.174423  0.128187  0.668847  1
  Al  Al132  1  0.948064  0.586055  0.705290  1
  Al  Al133  1  0.231360  0.013834  0.661082  1
  Al  Al134  1  0.006419  0.466405  0.699593  1
  Al  Al135  1  0.540850  0.937484  0.686547  1
  Al  Al136  1  0.760110  0.452675  0.654295  1
  Al  Al137  1  -0.002681  0.937494  0.686545  1
  Al  Al138  1  0.266816  0.452605  0.654342  1
  Al  Al139  1  0.808871  0.857636  0.650677  1
  Al  Al140  1  0.539917  0.399983  0.694265  1
