# generated using pymatgen
data_SmAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.00733740
_cell_length_b   17.95728739
_cell_length_c   50.65760322
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl2
_chemical_formula_sum   'Sm48 Al96'
_cell_volume   7284.05975278
_cell_formula_units_Z   48
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  0.756898  0.848030  0.376320  1
  Sm  Sm2  1  0.769179  0.448427  0.303020  1
  Sm  Sm3  1  0.503164  0.698143  0.394779  1
  Sm  Sm4  1  0.489004  0.296210  0.319801  1
  Sm  Sm5  1  0.255245  0.648980  0.341489  1
  Sm  Sm6  1  0.253504  0.048024  0.412181  1
  Sm  Sm7  1  0.016147  0.109193  0.287141  1
  Sm  Sm8  1  0.004303  0.497673  0.359253  1
  Sm  Sm9  1  0.269179  0.948427  0.303020  1
  Sm  Sm10  1  0.256898  0.348030  0.376320  1
  Sm  Sm11  1  0.989004  0.796210  0.319801  1
  Sm  Sm12  1  1.003164  0.198143  0.394779  1
  Sm  Sm13  1  0.753504  0.548024  0.412181  1
  Sm  Sm14  1  0.755245  0.148980  0.341489  1
  Sm  Sm15  1  0.504303  0.997673  0.359253  1
  Sm  Sm16  1  0.516147  0.609193  0.287141  1
  Sm  Sm17  1  0.754201  0.648365  0.519654  1
  Sm  Sm18  1  0.753423  0.248379  0.447972  1
  Sm  Sm19  1  0.504420  0.498238  0.537586  1
  Sm  Sm20  1  0.503862  0.098221  0.465858  1
  Sm  Sm21  1  0.254361  0.448239  0.483806  1
  Sm  Sm22  1  0.253629  0.848404  0.555600  1
  Sm  Sm23  1  0.004196  0.898299  0.429884  1
  Sm  Sm24  1  1.003653  0.298363  0.501714  1
  Sm  Sm25  1  0.253423  0.748379  0.447972  1
  Sm  Sm26  1  0.254201  0.148365  0.519654  1
  Sm  Sm27  1  1.003862  0.598221  0.465858  1
  Sm  Sm28  1  0.004420  0.998238  0.537586  1
  Sm  Sm29  1  0.753629  0.348404  0.555600  1
  Sm  Sm30  1  0.754361  0.948239  0.483806  1
  Sm  Sm31  1  0.503653  0.798363  0.501714  1
  Sm  Sm32  1  0.504196  0.398299  0.429884  1
  Sm  Sm33  1  0.767046  0.449502  0.665026  1
  Sm  Sm34  1  0.754048  0.048295  0.590827  1
  Sm  Sm35  1  0.489291  0.298821  0.683097  1
  Sm  Sm36  1  0.502111  0.898792  0.609167  1
  Sm  Sm37  1  0.254476  0.248996  0.626450  1
  Sm  Sm38  1  0.247404  0.640233  0.699738  1
  Sm  Sm39  1  0.004206  0.698519  0.573393  1
  Sm  Sm40  1  1.001589  0.097779  0.644013  1
  Sm  Sm41  1  0.254048  0.548295  0.590827  1
  Sm  Sm42  1  0.267046  0.949502  0.665026  1
  Sm  Sm43  1  1.002111  0.398792  0.609167  1
  Sm  Sm44  1  0.989291  0.798821  0.683097  1
  Sm  Sm45  1  0.747404  0.140233  0.699738  1
  Sm  Sm46  1  0.754476  0.748996  0.626450  1
  Sm  Sm47  1  0.501589  0.597779  0.644013  1
  Sm  Sm48  1  0.504206  0.198519  0.573393  1
  Al  Al49  1  0.879218  0.723335  0.421136  1
  Al  Al50  1  0.876359  0.324560  0.349989  1
  Al  Al51  1  0.888505  0.973793  0.330621  1
  Al  Al52  1  0.877787  0.373028  0.403199  1
  Al  Al53  1  0.630177  0.875672  0.315602  1
  Al  Al54  1  0.626349  0.273756  0.384504  1
  Al  Al55  1  0.639728  0.027813  0.298947  1
  Al  Al56  1  0.629002  0.422582  0.366160  1
  Al  Al57  1  0.380413  0.522639  0.384895  1
  Al  Al58  1  0.384261  0.122283  0.314766  1
  Al  Al59  1  0.371422  0.772483  0.298807  1
  Al  Al60  1  0.378750  0.173066  0.367681  1
  Al  Al61  1  0.129598  0.473005  0.421185  1
  Al  Al62  1  0.131910  0.072560  0.349320  1
  Al  Al63  1  0.129274  0.623343  0.403298  1
  Al  Al64  1  0.126162  0.223658  0.333409  1
  Al  Al65  1  0.376359  0.824560  0.349989  1
  Al  Al66  1  0.379218  0.223335  0.421136  1
  Al  Al67  1  0.377787  0.873028  0.403199  1
  Al  Al68  1  0.388505  0.473793  0.330621  1
  Al  Al69  1  0.126349  0.773756  0.384504  1
  Al  Al70  1  0.130177  0.375672  0.315602  1
  Al  Al71  1  0.129002  0.922582  0.366160  1
  Al  Al72  1  0.139728  0.527813  0.298947  1
  Al  Al73  1  0.884261  0.622283  0.314766  1
  Al  Al74  1  0.880413  0.022639  0.384895  1
  Al  Al75  1  0.878750  0.673066  0.367681  1
  Al  Al76  1  0.871422  0.272483  0.298807  1
  Al  Al77  1  0.631910  0.572560  0.349320  1
  Al  Al78  1  0.629598  0.973005  0.421185  1
  Al  Al79  1  0.626162  0.723658  0.333409  1
  Al  Al80  1  0.629274  0.123343  0.403298  1
  Al  Al81  1  0.878740  0.523344  0.564438  1
  Al  Al82  1  0.878951  0.123283  0.492758  1
  Al  Al83  1  0.878943  0.773388  0.474850  1
  Al  Al84  1  0.878977  0.173512  0.546397  1
  Al  Al85  1  0.629109  0.673235  0.457060  1
  Al  Al86  1  0.628808  0.073357  0.528481  1
  Al  Al87  1  0.628998  0.823244  0.439030  1
  Al  Al88  1  0.628883  0.223377  0.510646  1
  Al  Al89  1  0.379010  0.323366  0.528596  1
  Al  Al90  1  0.379013  0.923230  0.456953  1
  Al  Al91  1  0.379024  0.572993  0.439060  1
  Al  Al92  1  0.378988  0.973251  0.510680  1
  Al  Al93  1  0.128603  0.273614  0.564338  1
  Al  Al94  1  0.128947  0.873311  0.492760  1
  Al  Al95  1  0.129003  0.423338  0.546463  1
  Al  Al96  1  0.129021  0.023221  0.474893  1
  Al  Al97  1  0.378951  0.623283  0.492758  1
  Al  Al98  1  0.378740  0.023344  0.564438  1
  Al  Al99  1  0.378977  0.673512  0.546397  1
  Al  Al100  1  0.378943  0.273388  0.474850  1
  Al  Al101  1  0.128808  0.573357  0.528481  1
  Al  Al102  1  0.129109  0.173235  0.457060  1
  Al  Al103  1  0.128883  0.723377  0.510646  1
  Al  Al104  1  0.128998  0.323244  0.439030  1
  Al  Al105  1  0.879013  0.423230  0.456953  1
  Al  Al106  1  0.879010  0.823366  0.528596  1
  Al  Al107  1  0.878988  0.473251  0.510680  1
  Al  Al108  1  0.879024  0.072993  0.439060  1
  Al  Al109  1  0.628947  0.373311  0.492760  1
  Al  Al110  1  0.628603  0.773614  0.564338  1
  Al  Al111  1  0.629021  0.523221  0.474893  1
  Al  Al112  1  0.629003  0.923338  0.546463  1
  Al  Al113  1  0.868739  0.317555  0.704588  1
  Al  Al114  1  0.882097  0.922871  0.635918  1
  Al  Al115  1  0.878919  0.573728  0.618151  1
  Al  Al116  1  0.882703  0.972355  0.687830  1
  Al  Al117  1  0.631200  0.473011  0.600949  1
  Al  Al118  1  0.626589  0.871623  0.670274  1
  Al  Al119  1  0.628887  0.623297  0.582195  1
  Al  Al120  1  0.631102  0.023208  0.653172  1
  Al  Al121  1  0.378406  0.124970  0.671124  1
  Al  Al122  1  0.376968  0.723722  0.600164  1
  Al  Al123  1  0.380080  0.373590  0.582426  1
  Al  Al124  1  0.373308  0.770674  0.653425  1
  Al  Al125  1  0.124174  0.073385  0.703657  1
  Al  Al126  1  0.126865  0.673897  0.636505  1
  Al  Al127  1  0.121410  0.220553  0.687312  1
  Al  Al128  1  0.128154  0.823954  0.619410  1
  Al  Al129  1  0.382097  0.422871  0.635918  1
  Al  Al130  1  0.368739  0.817555  0.704588  1
  Al  Al131  1  0.382703  0.472355  0.687830  1
  Al  Al132  1  0.378919  0.073728  0.618151  1
  Al  Al133  1  0.126589  0.371623  0.670274  1
  Al  Al134  1  0.131200  0.973011  0.600949  1
  Al  Al135  1  0.131102  0.523208  0.653172  1
  Al  Al136  1  0.128887  0.123297  0.582195  1
  Al  Al137  1  0.876968  0.223722  0.600164  1
  Al  Al138  1  0.878406  0.624970  0.671124  1
  Al  Al139  1  0.873308  0.270674  0.653425  1
  Al  Al140  1  0.880080  0.873590  0.582426  1
  Al  Al141  1  0.626865  0.173897  0.636505  1
  Al  Al142  1  0.624174  0.573385  0.703657  1
  Al  Al143  1  0.628154  0.323954  0.619410  1
  Al  Al144  1  0.621410  0.720553  0.687312  1
