# generated using pymatgen
data_SmAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31684595
_cell_length_b   17.75710412
_cell_length_c   47.94704810
_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   'Sm30 Al90'
_cell_volume   5378.16722744
_cell_formula_units_Z   30
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  0.505411  0.147390  0.285325  1
  Sm  Sm2  1  0.505411  0.345612  0.344657  1
  Sm  Sm3  1  0.005411  0.745799  0.314653  1
  Sm  Sm4  1  0.005411  0.305871  0.286385  1
  Sm  Sm5  1  0.005411  0.508939  0.346264  1
  Sm  Sm6  1  0.505411  0.906302  0.315096  1
  Sm  Sm7  1  0.005411  0.945520  0.374737  1
  Sm  Sm8  1  0.005411  0.149765  0.436062  1
  Sm  Sm9  1  0.505411  0.548043  0.404774  1
  Sm  Sm10  1  0.505411  0.111080  0.376032  1
  Sm  Sm11  1  0.505411  0.315027  0.436878  1
  Sm  Sm12  1  0.005411  0.712789  0.405651  1
  Sm  Sm13  1  0.505411  0.752233  0.465875  1
  Sm  Sm14  1  0.505411  0.955746  0.526652  1
  Sm  Sm15  1  0.005411  0.353887  0.496369  1
  Sm  Sm16  1  0.005411  0.917232  0.466652  1
  Sm  Sm17  1  0.005411  0.120745  0.527429  1
  Sm  Sm18  1  0.505411  0.519091  0.496936  1
  Sm  Sm19  1  0.005411  0.557951  0.556427  1
  Sm  Sm20  1  0.005411  0.761897  0.617272  1
  Sm  Sm21  1  0.505411  0.160189  0.587654  1
  Sm  Sm22  1  0.505411  0.723213  0.557242  1
  Sm  Sm23  1  0.505411  0.927458  0.618567  1
  Sm  Sm24  1  0.005411  0.324935  0.588530  1
  Sm  Sm25  1  0.505411  0.364039  0.647040  1
  Sm  Sm26  1  0.505411  0.567107  0.706919  1
  Sm  Sm27  1  0.005411  0.966676  0.678208  1
  Sm  Sm28  1  0.005411  0.527366  0.648647  1
  Sm  Sm29  1  0.005411  0.725588  0.707979  1
  Sm  Sm30  1  0.505411  0.127179  0.678651  1
  Al  Al31  1  0.505411  0.323568  0.280220  1
  Al  Al32  1  0.505411  0.519594  0.340545  1
  Al  Al33  1  0.005411  0.919432  0.310353  1
  Al  Al34  1  0.776056  0.046683  0.328396  1
  Al  Al35  1  0.277408  0.448599  0.297002  1
  Al  Al36  1  0.278866  0.648646  0.357782  1
  Al  Al37  1  0.234765  0.046683  0.328396  1
  Al  Al38  1  0.733413  0.448599  0.297002  1
  Al  Al39  1  0.731955  0.648646  0.357782  1
  Al  Al40  1  0.005411  0.129866  0.288192  1
  Al  Al41  1  0.005411  0.335613  0.349517  1
  Al  Al42  1  0.505411  0.729196  0.316857  1
  Al  Al43  1  0.229742  0.205506  0.332923  1
  Al  Al44  1  0.738042  0.601345  0.300280  1
  Al  Al45  1  0.235219  0.002345  0.271832  1
  Al  Al46  1  0.781079  0.205506  0.332923  1
  Al  Al47  1  0.272779  0.601345  0.300280  1
  Al  Al48  1  0.775602  0.002345  0.271832  1
  Al  Al49  1  0.005411  0.118570  0.372565  1
  Al  Al50  1  0.005411  0.323306  0.432892  1
  Al  Al51  1  0.505411  0.720982  0.402334  1
  Al  Al52  1  0.278032  0.851961  0.419116  1
  Al  Al53  1  0.776930  0.249817  0.389488  1
  Al  Al54  1  0.777629  0.454150  0.449519  1
  Al  Al55  1  0.732789  0.851961  0.419116  1
  Al  Al56  1  0.233891  0.249817  0.389488  1
  Al  Al57  1  0.233192  0.454150  0.449519  1
  Al  Al58  1  0.505411  0.937722  0.378433  1
  Al  Al59  1  0.505411  0.141503  0.439529  1
  Al  Al60  1  0.005411  0.539236  0.409551  1
  Al  Al61  1  0.733025  0.010892  0.422429  1
  Al  Al62  1  0.233442  0.408524  0.392682  1
  Al  Al63  1  0.729033  0.806565  0.362086  1
  Al  Al64  1  0.277796  0.010892  0.422429  1
  Al  Al65  1  0.777379  0.408524  0.392682  1
  Al  Al66  1  0.281788  0.806565  0.362086  1
  Al  Al67  1  0.505411  0.925581  0.462895  1
  Al  Al68  1  0.505411  0.129187  0.524058  1
  Al  Al69  1  0.005411  0.527713  0.492861  1
  Al  Al70  1  0.778887  0.658227  0.509757  1
  Al  Al71  1  0.278992  0.055850  0.479931  1
  Al  Al72  1  0.276858  0.259692  0.540738  1
  Al  Al73  1  0.231934  0.658227  0.509757  1
  Al  Al74  1  0.731829  0.055850  0.479931  1
  Al  Al75  1  0.733963  0.259692  0.540738  1
  Al  Al76  1  0.005411  0.743791  0.469247  1
  Al  Al77  1  0.005411  0.947397  0.530410  1
  Al  Al78  1  0.505411  0.345265  0.500443  1
  Al  Al79  1  0.231829  0.817128  0.513373  1
  Al  Al80  1  0.731934  0.214750  0.483547  1
  Al  Al81  1  0.233963  0.613286  0.452567  1
  Al  Al82  1  0.778992  0.817128  0.513373  1
  Al  Al83  1  0.278887  0.214750  0.483547  1
  Al  Al84  1  0.776858  0.613286  0.452567  1
  Al  Al85  1  0.005411  0.731475  0.553775  1
  Al  Al86  1  0.005411  0.935256  0.614872  1
  Al  Al87  1  0.505411  0.333742  0.583753  1
  Al  Al88  1  0.277379  0.464454  0.600622  1
  Al  Al89  1  0.777796  0.862086  0.570876  1
  Al  Al90  1  0.781788  0.066413  0.631219  1
  Al  Al91  1  0.733442  0.464454  0.600622  1
  Al  Al92  1  0.233025  0.862086  0.570876  1
  Al  Al93  1  0.229033  0.066413  0.631219  1
  Al  Al94  1  0.505411  0.549672  0.560412  1
  Al  Al95  1  0.505411  0.754408  0.620740  1
  Al  Al96  1  0.005411  0.151996  0.590970  1
  Al  Al97  1  0.733891  0.623161  0.603816  1
  Al  Al98  1  0.232789  0.021017  0.574188  1
  Al  Al99  1  0.733192  0.418828  0.543785  1
  Al  Al100  1  0.276930  0.623161  0.603816  1
  Al  Al101  1  0.778032  0.021017  0.574188  1
  Al  Al102  1  0.277629  0.418828  0.543785  1
  Al  Al103  1  0.505411  0.537365  0.643787  1
  Al  Al104  1  0.505411  0.743112  0.705113  1
  Al  Al105  1  0.005411  0.143782  0.676447  1
  Al  Al106  1  0.772779  0.271633  0.693024  1
  Al  Al107  1  0.281079  0.667472  0.660381  1
  Al  Al108  1  0.275602  0.870633  0.721472  1
  Al  Al109  1  0.238042  0.271633  0.693024  1
  Al  Al110  1  0.729742  0.667472  0.660381  1
  Al  Al111  1  0.735219  0.870633  0.721472  1
  Al  Al112  1  0.005411  0.353384  0.652759  1
  Al  Al113  1  0.005411  0.549410  0.713084  1
  Al  Al114  1  0.505411  0.953546  0.682951  1
  Al  Al115  1  0.233413  0.424379  0.696302  1
  Al  Al116  1  0.734765  0.826295  0.664909  1
  Al  Al117  1  0.231955  0.224332  0.635522  1
  Al  Al118  1  0.777408  0.424379  0.696302  1
  Al  Al119  1  0.276056  0.826295  0.664909  1
  Al  Al120  1  0.778866  0.224332  0.635522  1
