# generated using pymatgen
data_Sm3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85806885
_cell_length_b   12.18153362
_cell_length_c   54.60404749
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Al
_chemical_formula_sum   'Sm30 Al10'
_cell_volume   2566.23709009
_cell_formula_units_Z   10
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  0.837692  0.496271  0.236150  1
  Sm  Sm2  1  0.861644  0.843533  0.259255  1
  Sm  Sm3  1  0.261327  0.382464  0.285892  1
  Sm  Sm4  1  0.224751  0.027068  0.218359  1
  Sm  Sm5  1  0.421322  0.731963  0.208480  1
  Sm  Sm6  1  0.736623  0.122155  0.277510  1
  Sm  Sm7  1  0.664372  0.364761  0.338741  1
  Sm  Sm8  1  0.580199  0.738496  0.371105  1
  Sm  Sm9  1  0.152380  0.248931  0.382419  1
  Sm  Sm10  1  0.313567  0.878646  0.313043  1
  Sm  Sm11  1  0.887356  0.618448  0.314920  1
  Sm  Sm12  1  0.814274  0.014806  0.357903  1
  Sm  Sm13  1  0.585247  0.073432  0.418108  1
  Sm  Sm14  1  1.096306  0.498252  0.475880  1
  Sm  Sm15  1  1.094996  0.009417  0.467692  1
  Sm  Sm16  1  1.109157  0.629648  0.419258  1
  Sm  Sm17  1  0.610391  0.415226  0.418855  1
  Sm  Sm18  1  0.598980  0.772861  0.455084  1
  Sm  Sm19  1  0.593026  0.924622  0.513157  1
  Sm  Sm20  1  0.638115  0.425804  0.594347  1
  Sm  Sm21  1  1.091710  0.852186  0.559813  1
  Sm  Sm22  1  1.106676  0.347767  0.545535  1
  Sm  Sm23  1  0.597360  0.249164  0.492014  1
  Sm  Sm24  1  0.603401  0.602928  0.531484  1
  Sm  Sm25  1  0.600298  0.754503  0.609734  1
  Sm  Sm26  1  0.561591  0.030024  0.658288  1
  Sm  Sm27  1  1.023706  0.785075  0.666754  1
  Sm  Sm28  1  1.064740  0.240985  0.628891  1
  Sm  Sm29  1  0.581589  0.104835  0.577693  1
  Sm  Sm30  1  0.272537  0.526533  0.645565  1
  Al  Al31  1  0.360420  0.646302  0.269007  1
  Al  Al32  1  0.303850  0.265664  0.237619  1
  Al  Al33  1  1.129672  0.517015  0.369628  1
  Al  Al34  1  0.244119  0.158982  0.323255  1
  Al  Al35  1  1.101033  0.247806  0.445065  1
  Al  Al36  1  1.083793  0.877025  0.409211  1
  Al  Al37  1  1.091166  0.106790  0.529106  1
  Al  Al38  1  1.097675  0.739813  0.498609  1
  Al  Al39  1  1.076785  -0.032497  0.614249  1
  Al  Al40  1  1.122574  0.606285  0.577788  1
