# generated using pymatgen
data_SmAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.60438445
_cell_length_b   16.72564820
_cell_length_c   50.81138147
_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   3913.05128134
_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  0.753882  0.362828  0.340544  1
  Sm  Sm2  1  0.753882  0.074279  0.259258  1
  Sm  Sm3  1  0.753882  0.719777  0.301398  1
  Sm  Sm4  1  0.253882  0.284000  0.271077  1
  Sm  Sm5  1  0.253882  0.927883  0.312211  1
  Sm  Sm6  1  0.253882  0.573593  0.353418  1
  Sm  Sm7  1  0.753882  0.292187  0.465881  1
  Sm  Sm8  1  0.753882  0.005404  0.383598  1
  Sm  Sm9  1  0.753882  0.648124  0.424819  1
  Sm  Sm10  1  0.253882  0.217005  0.396180  1
  Sm  Sm11  1  0.253882  0.860698  0.437924  1
  Sm  Sm12  1  0.253882  0.503519  0.478870  1
  Sm  Sm13  1  0.753882  0.221611  0.591023  1
  Sm  Sm14  1  0.753882  0.935097  0.508333  1
  Sm  Sm15  1  0.753882  0.577918  0.549279  1
  Sm  Sm16  1  0.253882  0.146430  0.521322  1
  Sm  Sm17  1  0.253882  0.790492  0.562384  1
  Sm  Sm18  1  0.253882  0.433212  0.603605  1
  Sm  Sm19  1  0.753882  0.154616  0.716126  1
  Sm  Sm20  1  0.753882  0.865023  0.633785  1
  Sm  Sm21  1  0.753882  0.510733  0.674992  1
  Sm  Sm22  1  0.253882  0.075788  0.646659  1
  Sm  Sm23  1  0.253882  0.718839  0.685805  1
  Sm  Sm24  1  0.253882  0.364338  0.727945  1
  Al  Al25  1  0.253882  0.474052  0.254626  1
  Al  Al26  1  0.253882  0.111767  0.297992  1
  Al  Al27  1  0.253882  0.758522  0.339611  1
  Al  Al28  1  0.753882  0.209088  0.303628  1
  Al  Al29  1  0.753882  0.856464  0.344589  1
  Al  Al30  1  0.753882  0.571901  0.259959  1
  Al  Al31  1  0.753882  0.408685  0.277914  1
  Al  Al32  1  0.753882  0.046001  0.321803  1
  Al  Al33  1  0.753882  0.691669  0.363519  1
  Al  Al34  1  0.753882  0.178329  0.357795  1
  Al  Al35  1  0.753882  0.884730  0.272006  1
  Al  Al36  1  0.753882  0.535192  0.314267  1
  Al  Al37  1  0.253882  0.438514  0.308580  1
  Al  Al38  1  0.253882  0.079951  0.351983  1
  Al  Al39  1  0.253882  0.786402  0.266749  1
  Al  Al40  1  0.253882  0.243448  0.333327  1
  Al  Al41  1  0.253882  0.948591  0.250549  1
  Al  Al42  1  0.253882  0.602427  0.289552  1
  Al  Al43  1  0.253882  0.400238  0.379228  1
  Al  Al44  1  0.253882  0.043902  0.421981  1
  Al  Al45  1  0.253882  0.687247  0.463182  1
  Al  Al46  1  0.753882  0.141084  0.427810  1
  Al  Al47  1  0.753882  0.784533  0.469202  1
  Al  Al48  1  0.753882  0.498472  0.385272  1
  Al  Al49  1  0.753882  0.336107  0.403683  1
  Al  Al50  1  0.753882  0.979147  0.446515  1
  Al  Al51  1  0.753882  0.622072  0.487595  1
  Al  Al52  1  0.753882  0.109043  0.482808  1
  Al  Al53  1  0.753882  0.821845  0.399415  1
  Al  Al54  1  0.753882  0.465191  0.440202  1
  Al  Al55  1  0.253882  0.368278  0.434258  1
  Al  Al56  1  0.253882  0.011224  0.476848  1
  Al  Al57  1  0.253882  0.723913  0.393746  1
  Al  Al58  1  0.253882  0.173341  0.458321  1
  Al  Al59  1  0.253882  0.887674  0.375100  1
  Al  Al60  1  0.253882  0.530144  0.415573  1
  Al  Al61  1  0.253882  0.329574  0.504395  1
  Al  Al62  1  0.253882  0.973425  0.547001  1
  Al  Al63  1  0.253882  0.616771  0.587788  1
  Al  Al64  1  0.753882  0.070338  0.552945  1
  Al  Al65  1  0.753882  0.714703  0.593457  1
  Al  Al66  1  0.753882  0.427393  0.510355  1
  Al  Al67  1  0.753882  0.265275  0.528882  1
  Al  Al68  1  0.753882  0.908472  0.571630  1
  Al  Al69  1  0.753882  0.550942  0.612103  1
  Al  Al70  1  0.753882  0.038378  0.607975  1
  Al  Al71  1  0.753882  0.751369  0.524021  1
  Al  Al72  1  0.753882  0.394714  0.565222  1
  Al  Al73  1  0.253882  0.297533  0.559393  1
  Al  Al74  1  0.253882  0.940144  0.601931  1
  Al  Al75  1  0.253882  0.654084  0.518001  1
  Al  Al76  1  0.253882  0.102509  0.583520  1
  Al  Al77  1  0.253882  0.816544  0.499608  1
  Al  Al78  1  0.253882  0.459469  0.540688  1
  Al  Al79  1  0.253882  0.260287  0.629408  1
  Al  Al80  1  0.253882  0.903424  0.672936  1
  Al  Al81  1  0.253882  0.553886  0.715197  1
  Al  Al82  1  0.753882  1.000102  0.678622  1
  Al  Al83  1  0.753882  0.652214  0.720454  1
  Al  Al84  1  0.753882  0.358666  0.635220  1
  Al  Al85  1  0.753882  0.195168  0.653876  1
  Al  Al86  1  0.753882  0.836189  0.697651  1
  Al  Al87  1  0.753882  0.490025  0.736654  1
  Al  Al88  1  0.753882  0.964564  0.732577  1
  Al  Al89  1  0.753882  0.680095  0.647592  1
  Al  Al90  1  0.753882  0.326849  0.689211  1
  Al  Al91  1  0.253882  0.229528  0.683575  1
  Al  Al92  1  0.253882  0.866715  0.727244  1
  Al  Al93  1  0.253882  0.582152  0.642614  1
  Al  Al94  1  0.253882  0.029932  0.709289  1
  Al  Al95  1  0.253882  0.746947  0.623684  1
  Al  Al96  1  0.253882  0.392615  0.665400  1
