# generated using pymatgen
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94081406
_cell_length_b   11.14776869
_cell_length_c   49.09408360
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl
_chemical_formula_sum   'Sm27 Al27'
_cell_volume   2635.58738175
_cell_formula_units_Z   27
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  0.029048  0.637196  0.265447  1
  Sm  Sm2  1  0.218654  0.015745  0.272161  1
  Sm  Sm3  1  0.389725  0.357885  0.284946  1
  Sm  Sm4  1  0.534390  0.647050  0.323894  1
  Sm  Sm5  1  0.690909  0.959471  0.331623  1
  Sm  Sm6  1  0.838036  0.253431  0.358352  1
  Sm  Sm7  1  0.011834  0.601612  0.367418  1
  Sm  Sm8  1  0.175299  0.928604  0.375311  1
  Sm  Sm9  1  0.320316  0.218213  0.405916  1
  Sm  Sm10  1  0.475410  0.527662  0.412109  1
  Sm  Sm11  1  0.627966  0.831854  0.445843  1
  Sm  Sm12  1  0.801573  0.179508  0.454083  1
  Sm  Sm13  1  0.974979  0.526425  0.465481  1
  Sm  Sm14  1  0.121254  0.818541  0.497154  1
  Sm  Sm15  1  0.273700  0.123034  0.499194  1
  Sm  Sm16  1  0.420054  0.415211  0.530513  1
  Sm  Sm17  1  0.594048  0.763442  0.542186  1
  Sm  Sm18  1  0.766370  0.108727  0.550728  1
  Sm  Sm19  1  0.919672  0.413682  0.583435  1
  Sm  Sm20  1  0.076185  0.725748  0.591168  1
  Sm  Sm21  1  0.221812  0.016055  0.621202  1
  Sm  Sm22  1  0.383718  0.340302  0.627290  1
  Sm  Sm23  1  0.554104  0.681882  0.638027  1
  Sm  Sm24  1  0.703153  0.978901  0.663400  1
  Sm  Sm25  1  0.860655  0.293490  0.672984  1
  Sm  Sm26  1  0.005681  0.582980  0.709696  1
  Sm  Sm27  1  0.173047  0.916435  0.721652  1
  Al  Al28  1  0.624234  0.827445  0.276291  1
  Al  Al29  1  0.805209  0.189174  0.296245  1
  Al  Al30  1  0.939125  0.456196  0.315234  1
  Al  Al31  1  0.115423  0.808781  0.315702  1
  Al  Al32  1  0.283292  0.144328  0.330003  1
  Al  Al33  1  0.414073  0.404772  0.351718  1
  Al  Al34  1  0.597005  0.772491  0.383803  1
  Al  Al35  1  0.728537  0.034908  0.401283  1
  Al  Al36  1  0.902626  0.382675  0.412135  1
  Al  Al37  1  0.075621  0.727970  0.421274  1
  Al  Al38  1  0.207885  0.990840  0.440915  1
  Al  Al39  1  0.391585  0.360119  0.465029  1
  Al  Al40  1  0.526182  0.628363  0.489279  1
  Al  Al41  1  0.697750  0.971333  0.498135  1
  Al  Al42  1  0.868603  0.312798  0.507153  1
  Al  Al43  1  0.003987  0.582720  0.531522  1
  Al  Al44  1  0.186659  0.950167  0.555496  1
  Al  Al45  1  0.318652  0.212483  0.574144  1
  Al  Al46  1  0.493514  0.560648  0.583557  1
  Al  Al47  1  0.666715  0.906091  0.595356  1
  Al  Al48  1  0.799419  0.170931  0.612791  1
  Al  Al49  1  0.978323  0.531180  0.643056  1
  Al  Al50  1  0.110116  0.793104  0.664255  1
  Al  Al51  1  0.282354  0.136997  0.682140  1
  Al  Al52  1  0.451719  0.475266  0.681135  1
  Al  Al53  1  0.589560  0.750170  0.699042  1
  Al  Al54  1  0.766794  0.103023  0.718395  1
