# generated using pymatgen
data_SmAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.95322114
_cell_length_b   7.88740045
_cell_length_c   49.04260751
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl3
_chemical_formula_sum   'Sm24 Al72'
_cell_volume   4236.91059536
_cell_formula_units_Z   24
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  0.172174  0.802162  0.286894  1
  Sm  Sm2  1  0.666364  0.472276  0.326038  1
  Sm  Sm3  1  0.337528  0.302162  0.286894  1
  Sm  Sm4  1  0.843338  0.972276  0.326038  1
  Sm  Sm5  1  0.169291  0.141093  0.362019  1
  Sm  Sm6  1  0.670542  0.813164  0.400963  1
  Sm  Sm7  1  0.340412  0.641093  0.362019  1
  Sm  Sm8  1  0.839160  0.313164  0.400963  1
  Sm  Sm9  1  0.170393  0.488477  0.440161  1
  Sm  Sm10  1  0.669977  0.160890  0.478493  1
  Sm  Sm11  1  0.339309  0.988477  0.440161  1
  Sm  Sm12  1  0.839726  0.660890  0.478493  1
  Sm  Sm13  1  0.169977  0.832509  0.516512  1
  Sm  Sm14  1  0.670393  0.504921  0.554844  1
  Sm  Sm15  1  0.339726  0.332509  0.516512  1
  Sm  Sm16  1  0.839309  0.004921  0.554844  1
  Sm  Sm17  1  0.170542  0.180234  0.594042  1
  Sm  Sm18  1  0.669291  0.852305  0.632986  1
  Sm  Sm19  1  0.339160  0.680234  0.594042  1
  Sm  Sm20  1  0.840412  0.352305  0.632986  1
  Sm  Sm21  1  0.166364  0.521123  0.668967  1
  Sm  Sm22  1  0.672174  0.191237  0.708110  1
  Sm  Sm23  1  0.343338  0.021123  0.668967  1
  Sm  Sm24  1  0.837528  0.691237  0.708110  1
  Al  Al25  1  0.065758  0.439555  0.270395  1
  Al  Al26  1  0.592335  0.118202  0.304774  1
  Al  Al27  1  0.443944  0.939555  0.270395  1
  Al  Al28  1  0.917368  0.618202  0.304774  1
  Al  Al29  1  0.149157  0.472449  0.324343  1
  Al  Al30  1  0.670087  0.785140  0.285852  1
  Al  Al31  1  0.436683  0.656087  0.302006  1
  Al  Al32  1  0.928882  0.331882  0.340741  1
  Al  Al33  1  0.073019  0.156087  0.302006  1
  Al  Al34  1  0.580820  0.831882  0.340741  1
  Al  Al35  1  0.360546  0.972449  0.324343  1
  Al  Al36  1  0.839615  0.285140  0.285852  1
  Al  Al37  1  0.079549  0.783373  0.345944  1
  Al  Al38  1  0.576899  0.456483  0.385137  1
  Al  Al39  1  0.430154  0.283373  0.345944  1
  Al  Al40  1  0.932803  0.956483  0.385137  1
  Al  Al41  1  0.159363  0.813495  0.401319  1
  Al  Al42  1  0.652651  0.141251  0.362872  1
  Al  Al43  1  0.427323  0.993595  0.380451  1
  Al  Al44  1  0.929716  0.666285  0.418830  1
  Al  Al45  1  0.082379  0.493595  0.380451  1
  Al  Al46  1  0.579986  0.166285  0.418830  1
  Al  Al47  1  0.350339  0.313495  0.401319  1
  Al  Al48  1  0.857052  0.641251  0.362872  1
  Al  Al49  1  0.081853  0.135173  0.422187  1
  Al  Al50  1  0.581259  0.807088  0.460703  1
  Al  Al51  1  0.427850  0.635173  0.422187  1
  Al  Al52  1  0.928444  0.307088  0.460703  1
  Al  Al53  1  0.154226  0.160889  0.478234  1
  Al  Al54  1  0.656831  0.487621  0.439805  1
  Al  Al55  1  0.430190  0.343887  0.456670  1
  Al  Al56  1  0.929670  0.016061  0.495254  1
  Al  Al57  1  0.079513  0.843887  0.456670  1
  Al  Al58  1  0.580032  0.516061  0.495254  1
  Al  Al59  1  0.355476  0.660889  0.478234  1
  Al  Al60  1  0.852871  0.987621  0.439805  1
  Al  Al61  1  0.080032  0.477337  0.499750  1
  Al  Al62  1  0.579513  0.149512  0.538334  1
  Al  Al63  1  0.429670  0.977337  0.499750  1
  Al  Al64  1  0.930190  0.649512  0.538334  1
  Al  Al65  1  0.156831  0.505777  0.555199  1
  Al  Al66  1  0.654226  0.832510  0.516770  1
  Al  Al67  1  0.428444  0.686310  0.534301  1
  Al  Al68  1  0.927850  0.358225  0.572818  1
  Al  Al69  1  0.081259  0.186310  0.534301  1
  Al  Al70  1  0.581853  0.858225  0.572818  1
  Al  Al71  1  0.352871  0.005777  0.555199  1
  Al  Al72  1  0.855476  0.332510  0.516770  1
  Al  Al73  1  0.079986  0.827113  0.576175  1
  Al  Al74  1  0.582379  0.499803  0.614553  1
  Al  Al75  1  0.429716  0.327113  0.576175  1
  Al  Al76  1  0.927323  0.999803  0.614553  1
  Al  Al77  1  0.152651  0.852148  0.632132  1
  Al  Al78  1  0.659363  0.179904  0.593686  1
  Al  Al79  1  0.432803  0.036915  0.609867  1
  Al  Al80  1  0.930154  0.710025  0.649060  1
  Al  Al81  1  0.076899  0.536915  0.609867  1
  Al  Al82  1  0.579549  0.210025  0.649060  1
  Al  Al83  1  0.357052  0.352148  0.632132  1
  Al  Al84  1  0.850339  0.679904  0.593686  1
  Al  Al85  1  0.080820  0.161516  0.654263  1
  Al  Al86  1  0.573019  0.837311  0.692999  1
  Al  Al87  1  0.428882  0.661516  0.654263  1
  Al  Al88  1  0.936683  0.337311  0.692999  1
  Al  Al89  1  0.170087  0.208259  0.709152  1
  Al  Al90  1  0.649157  0.520949  0.670661  1
  Al  Al91  1  0.417368  0.375196  0.690230  1
  Al  Al92  1  0.943944  0.053843  0.724609  1
  Al  Al93  1  0.092335  0.875196  0.690230  1
  Al  Al94  1  0.565758  0.553843  0.724609  1
  Al  Al95  1  0.339615  0.708259  0.709152  1
  Al  Al96  1  0.860546  0.020949  0.670661  1
