# generated using pymatgen
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.26350050
_cell_length_b   7.87524866
_cell_length_c   55.19651963
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl
_chemical_formula_sum   'Sm40 Al40'
_cell_volume   4896.08955255
_cell_formula_units_Z   40
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  0.490783  0.492407  0.291708  1
  Sm  Sm2  1  0.186132  0.287135  0.274650  1
  Sm  Sm3  1  0.993485  0.613654  0.318504  1
  Sm  Sm4  1  0.701025  0.332165  0.245017  1
  Sm  Sm5  1  0.371372  1.022550  0.315451  1
  Sm  Sm6  1  0.036965  0.672611  0.250932  1
  Sm  Sm7  1  0.865720  0.994944  0.278513  1
  Sm  Sm8  1  0.581603  0.842237  0.256305  1
  Sm  Sm9  1  0.514668  0.889872  0.376716  1
  Sm  Sm10  1  0.179282  0.801418  0.358523  1
  Sm  Sm11  1  1.012050  0.118071  0.399799  1
  Sm  Sm12  1  0.683505  0.804782  0.327293  1
  Sm  Sm13  1  0.334931  0.532079  0.398010  1
  Sm  Sm14  1  1.007032  0.155572  0.332589  1
  Sm  Sm15  1  0.823636  0.489635  0.370444  1
  Sm  Sm16  1  0.536666  0.329224  0.354082  1
  Sm  Sm17  1  0.512625  0.387862  0.458529  1
  Sm  Sm18  1  0.201545  0.282985  0.442361  1
  Sm  Sm19  1  0.017244  0.612879  0.483422  1
  Sm  Sm20  1  0.705040  0.226313  0.415289  1
  Sm  Sm21  1  0.329091  1.022896  0.484280  1
  Sm  Sm22  1  1.016887  0.636330  0.416146  1
  Sm  Sm23  1  0.832586  0.966223  0.457208  1
  Sm  Sm24  1  0.521506  0.861347  0.441039  1
  Sm  Sm25  1  0.497465  0.919985  0.545486  1
  Sm  Sm26  1  0.210495  0.759574  0.529125  1
  Sm  Sm27  1  0.027099  0.093637  0.566980  1
  Sm  Sm28  1  0.699200  0.717130  0.501559  1
  Sm  Sm29  1  0.350626  0.444427  0.572275  1
  Sm  Sm30  1  0.022081  0.131138  0.499770  1
  Sm  Sm31  1  0.854849  0.447791  0.541046  1
  Sm  Sm32  1  0.519463  0.359337  0.522853  1
  Sm  Sm33  1  0.452528  0.406972  0.643264  1
  Sm  Sm34  1  0.168411  0.254265  0.621056  1
  Sm  Sm35  1  0.997166  0.576597  0.648636  1
  Sm  Sm36  1  0.662759  0.226659  0.584117  1
  Sm  Sm37  1  0.333106  0.917044  0.654551  1
  Sm  Sm38  1  0.040646  0.635554  0.581065  1
  Sm  Sm39  1  0.847999  0.962074  0.624918  1
  Sm  Sm40  1  0.543347  0.756802  0.607860  1
  Al  Al41  1  0.301580  0.880880  0.262916  1
  Al  Al42  1  0.759383  0.371633  0.317076  1
  Al  Al43  1  0.443294  0.175066  0.261259  1
  Al  Al44  1  0.923328  0.359738  0.279681  1
  Al  Al45  1  0.248927  0.651662  0.298859  1
  Al  Al46  1  0.773624  0.622546  0.280979  1
  Al  Al47  1  0.120670  0.927126  0.295565  1
  Al  Al48  1  0.618479  0.138499  0.297311  1
  Al  Al49  1  0.256865  0.393819  0.331855  1
  Al  Al50  1  0.768426  0.837905  0.403973  1
  Al  Al51  1  0.413702  0.659596  0.339072  1
  Al  Al52  1  0.913488  0.842225  0.363883  1
  Al  Al53  1  0.273458  0.163932  0.371270  1
  Al  Al54  1  0.762342  0.104717  0.362705  1
  Al  Al55  1  0.099844  0.431422  0.369776  1
  Al  Al56  1  0.601861  0.567943  0.405045  1
  Al  Al57  1  0.262933  0.915851  0.413121  1
  Al  Al58  1  0.771198  0.333358  0.486447  1
  Al  Al59  1  0.432633  0.183741  0.410813  1
  Al  Al60  1  0.930607  0.322601  0.447961  1
  Al  Al61  1  0.272505  0.662928  0.453963  1
  Al  Al62  1  0.761626  0.586281  0.445606  1
  Al  Al63  1  0.103524  0.926608  0.451607  1
  Al  Al64  1  0.601497  0.065468  0.488755  1
  Al  Al65  1  0.265705  0.411304  0.495596  1
  Al  Al66  1  0.777266  0.855390  0.567714  1
  Al  Al67  1  0.432270  0.681266  0.494524  1
  Al  Al68  1  0.934287  0.817786  0.529793  1
  Al  Al69  1  0.271789  0.144492  0.536863  1
  Al  Al70  1  0.760673  0.085277  0.528298  1
  Al  Al71  1  0.120643  0.406984  0.535685  1
  Al  Al72  1  0.620428  0.589613  0.560497  1
  Al  Al73  1  0.274748  0.877576  0.582493  1
  Al  Al74  1  0.732551  0.368329  0.636653  1
  Al  Al75  1  0.415651  0.110710  0.602258  1
  Al  Al76  1  0.913461  0.322083  0.604003  1
  Al  Al77  1  0.260507  0.626662  0.618590  1
  Al  Al78  1  0.785204  0.597547  0.600709  1
  Al  Al79  1  0.110803  0.889471  0.619887  1
  Al  Al80  1  0.590837  0.074143  0.638310  1
