# generated using pymatgen
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.14072400
_cell_length_b   12.90048120
_cell_length_c   51.44292520
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.05381434
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl
_chemical_formula_sum   'Sm48 Al48'
_cell_volume   5139.64647276
_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  0.771357  0.032246  0.331862  1
  Sm  Sm2  1  0.244212  0.404502  0.287233  1
  Sm  Sm3  1  0.815555  0.635444  0.267382  1
  Sm  Sm4  1  0.524671  0.937061  0.276836  1
  Sm  Sm5  1  0.065229  0.201201  0.320944  1
  Sm  Sm6  1  0.791221  0.507093  0.329981  1
  Sm  Sm7  1  0.362274  0.718911  0.299372  1
  Sm  Sm8  1  0.770668  0.147779  0.266954  1
  Sm  Sm9  1  0.345077  0.909342  0.409287  1
  Sm  Sm10  1  0.771273  0.286448  0.374083  1
  Sm  Sm11  1  0.360511  0.503664  0.346143  1
  Sm  Sm12  1  0.094394  0.811422  0.354244  1
  Sm  Sm13  1  0.620550  0.079665  0.399076  1
  Sm  Sm14  1  0.355360  0.388131  0.407679  1
  Sm  Sm15  1  0.948981  0.609981  0.381726  1
  Sm  Sm16  1  0.368567  0.980447  0.344056  1
  Sm  Sm17  1  0.916506  0.796832  0.486911  1
  Sm  Sm18  1  0.333811  0.170645  0.450482  1
  Sm  Sm19  1  0.932290  0.392015  0.424113  1
  Sm  Sm20  1  0.668817  0.698502  0.432372  1
  Sm  Sm21  1  0.189416  0.966183  0.476040  1
  Sm  Sm22  1  0.926414  0.272986  0.484862  1
  Sm  Sm23  1  0.526225  0.493875  0.457597  1
  Sm  Sm24  1  0.943149  0.867541  0.421019  1
  Sm  Sm25  1  0.489073  0.682972  0.564298  1
  Sm  Sm26  1  0.905997  0.056638  0.527721  1
  Sm  Sm27  1  0.505807  0.277527  0.500456  1
  Sm  Sm28  1  0.242806  0.584330  0.509278  1
  Sm  Sm29  1  0.763405  0.852011  0.552945  1
  Sm  Sm30  1  0.499932  0.158498  0.561205  1
  Sm  Sm31  1  0.098410  0.379868  0.534835  1
  Sm  Sm32  1  0.515715  0.753681  0.498407  1
  Sm  Sm33  1  0.063655  0.570066  0.641262  1
  Sm  Sm34  1  0.483241  0.940532  0.603591  1
  Sm  Sm35  1  0.076861  0.162382  0.577638  1
  Sm  Sm36  1  0.811672  0.470848  0.586241  1
  Sm  Sm37  1  0.337827  0.739091  0.631073  1
  Sm  Sm38  1  0.071711  0.046849  0.639174  1
  Sm  Sm39  1  0.660949  0.264066  0.611235  1
  Sm  Sm40  1  0.087145  0.641171  0.576030  1
  Sm  Sm41  1  0.661554  0.402734  0.718363  1
  Sm  Sm42  1  0.069947  0.831602  0.685945  1
  Sm  Sm43  1  0.641001  0.043420  0.655336  1
  Sm  Sm44  1  0.366993  0.349312  0.664373  1
  Sm  Sm45  1  0.907551  0.613452  0.708481  1
  Sm  Sm46  1  0.616666  0.915069  0.717936  1
  Sm  Sm47  1  0.188010  0.146011  0.698085  1
  Sm  Sm48  1  0.660865  0.518267  0.653455  1
  Al  Al49  1  0.643849  0.301673  0.315538  1
  Al  Al50  1  0.932145  0.838441  0.291340  1
  Al  Al51  1  0.440375  0.163373  0.301354  1
  Al  Al52  1  0.044559  0.633627  0.316270  1
  Al  Al53  1  0.884860  0.363297  0.277816  1
  Al  Al54  1  0.714753  0.776196  0.325146  1
  Al  Al55  1  0.559269  0.485736  0.283690  1
  Al  Al56  1  0.124044  0.971215  0.297709  1
  Al  Al57  1  0.205281  0.179282  0.389169  1
  Al  Al58  1  0.508979  0.713514  0.362537  1
  Al  Al59  1  0.014252  0.044948  0.376218  1
  Al  Al60  1  0.619656  0.524993  0.391638  1
  Al  Al61  1  0.424889  0.235763  0.351560  1
  Al  Al62  1  0.297808  0.658767  0.403052  1
  Al  Al63  1  0.100711  0.373233  0.361877  1
  Al  Al64  1  0.701945  0.848727  0.375905  1
  Al  Al65  1  0.775119  0.064605  0.466236  1
  Al  Al66  1  0.085755  0.599789  0.442050  1
  Al  Al67  1  0.582948  0.930938  0.454016  1
  Al  Al68  1  0.192109  0.408460  0.469470  1
  Al  Al69  1  0.990821  0.119702  0.427192  1
  Al  Al70  1  0.870768  0.544305  0.480939  1
  Al  Al71  1  0.668824  0.255743  0.438825  1
  Al  Al72  1  0.276291  0.734014  0.453824  1
  Al  Al73  1  0.346467  0.950725  0.543268  1
  Al  Al74  1  0.657102  0.485908  0.519081  1
  Al  Al75  1  0.155930  0.816499  0.531493  1
  Al  Al76  1  0.763398  0.294770  0.546493  1
  Al  Al77  1  0.561453  0.006208  0.504379  1
  Al  Al78  1  0.441400  0.430812  0.558125  1
  Al  Al79  1  0.240113  0.142053  0.515847  1
  Al  Al80  1  0.849274  0.619575  0.531301  1
  Al  Al81  1  0.923242  0.836999  0.622780  1
  Al  Al82  1  0.226941  0.371231  0.596149  1
  Al  Al83  1  0.730276  0.701786  0.609412  1
  Al  Al84  1  0.331511  0.177281  0.623441  1
  Al  Al85  1  0.134414  0.891746  0.582265  1
  Al  Al86  1  0.007333  0.314750  0.633757  1
  Al  Al87  1  0.812565  0.025520  0.593679  1
  Al  Al88  1  0.417970  0.505565  0.609099  1
  Al  Al89  1  0.500076  0.712072  0.693977  1
  Al  Al90  1  0.788373  0.248840  0.669779  1
  Al  Al91  1  0.308177  0.579298  0.687608  1
  Al  Al92  1  0.872952  0.064777  0.701627  1
  Al  Al93  1  0.717468  0.774317  0.660171  1
  Al  Al94  1  0.547362  0.187216  0.707501  1
  Al  Al95  1  0.387662  0.916886  0.669048  1
  Al  Al96  1  0.991847  0.387140  0.683964  1
