# generated using pymatgen
data_Sm63Al128
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.12247047
_cell_length_b   16.12247047
_cell_length_c   16.12247047
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm63Al128
_chemical_formula_sum   'Sm63 Al128'
_cell_volume   4190.77911404
_cell_formula_units_Z   1
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  0.375532  0.125532  0.625532  1
  Sm  Sm2  1  0.375532  0.625532  0.125532  1
  Sm  Sm3  1  0.375532  0.625532  0.625532  1
  Sm  Sm4  1  0.875532  0.125532  0.125532  1
  Sm  Sm5  1  0.875532  0.125532  0.625532  1
  Sm  Sm6  1  0.875532  0.625532  0.125532  1
  Sm  Sm7  1  0.875532  0.625532  0.625532  1
  Sm  Sm8  1  0.269678  0.231387  0.231387  1
  Sm  Sm9  1  0.249691  0.251374  0.748311  1
  Sm  Sm10  1  0.249691  0.748311  0.251374  1
  Sm  Sm11  1  0.250769  0.751583  0.751583  1
  Sm  Sm12  1  0.752753  0.251374  0.251374  1
  Sm  Sm13  1  0.749482  0.250295  0.751583  1
  Sm  Sm14  1  0.749482  0.751583  0.250295  1
  Sm  Sm15  1  0.750636  0.750429  0.750429  1
  Sm  Sm16  1  0.374440  0.374049  0.374049  1
  Sm  Sm17  1  0.376624  0.374049  0.877015  1
  Sm  Sm18  1  0.376624  0.877015  0.374049  1
  Sm  Sm19  1  0.374440  0.877015  0.877015  1
  Sm  Sm20  1  0.876552  0.375720  0.375720  1
  Sm  Sm21  1  0.874512  0.375720  0.875345  1
  Sm  Sm22  1  0.874512  0.875345  0.375720  1
  Sm  Sm23  1  0.876552  0.875345  0.875345  1
  Sm  Sm24  1  0.269678  0.019678  0.019678  1
  Sm  Sm25  1  0.249691  0.999691  0.502753  1
  Sm  Sm26  1  0.249691  0.502753  0.999691  1
  Sm  Sm27  1  0.250769  0.499482  0.499482  1
  Sm  Sm28  1  0.752753  0.999691  0.999691  1
  Sm  Sm29  1  0.749482  0.000769  0.499482  1
  Sm  Sm30  1  0.749482  0.499482  0.000769  1
  Sm  Sm31  1  0.750636  0.500636  0.500636  1
  Sm  Sm32  1  0.127015  0.126624  0.374049  1
  Sm  Sm33  1  0.127015  0.124440  0.877015  1
  Sm  Sm34  1  0.125345  0.624512  0.375720  1
  Sm  Sm35  1  0.125345  0.626552  0.875345  1
  Sm  Sm36  1  0.624049  0.124440  0.374049  1
  Sm  Sm37  1  0.624049  0.126624  0.877015  1
  Sm  Sm38  1  0.625720  0.626552  0.375720  1
  Sm  Sm39  1  0.625720  0.624512  0.875345  1
  Sm  Sm40  1  0.998311  0.251374  0.999691  1
  Sm  Sm41  1  0.001583  0.250295  0.499482  1
  Sm  Sm42  1  0.001583  0.751583  0.000769  1
  Sm  Sm43  1  1.000429  0.750429  0.500636  1
  Sm  Sm44  1  0.481387  0.231387  0.019678  1
  Sm  Sm45  1  0.501374  0.251374  0.502753  1
  Sm  Sm46  1  0.501374  0.748311  0.999691  1
  Sm  Sm47  1  0.500295  0.751583  0.499482  1
  Sm  Sm48  1  0.127015  0.374049  0.126624  1
  Sm  Sm49  1  0.125345  0.375720  0.624512  1
  Sm  Sm50  1  0.127015  0.877015  0.124440  1
  Sm  Sm51  1  0.125345  0.875345  0.626552  1
  Sm  Sm52  1  0.624049  0.374049  0.124440  1
  Sm  Sm53  1  0.625720  0.375720  0.626552  1
  Sm  Sm54  1  0.624049  0.877015  0.126624  1
  Sm  Sm55  1  0.625720  0.875345  0.624512  1
  Sm  Sm56  1  0.998311  0.999691  0.251374  1
  Sm  Sm57  1  0.001583  0.000769  0.751583  1
  Sm  Sm58  1  0.001583  0.499482  0.250295  1
  Sm  Sm59  1  1.000429  0.500636  0.750429  1
  Sm  Sm60  1  0.481387  0.019678  0.231387  1
  Sm  Sm61  1  0.501374  0.999691  0.748311  1
  Sm  Sm62  1  0.501374  0.502753  0.251374  1
  Sm  Sm63  1  0.500295  0.499482  0.751583  1
  Al  Al64  1  0.183345  0.191148  0.059917  1
  Al  Al65  1  0.188069  0.187950  0.562015  1
  Al  Al66  1  0.188069  0.689049  0.063115  1
  Al  Al67  1  0.188307  0.687792  0.563273  1
  Al  Al68  1  0.687417  0.187795  0.063270  1
  Al  Al69  1  0.687969  0.187893  0.562947  1
  Al  Al70  1  0.687969  0.688117  0.063172  1
  Al  Al71  1  0.687827  0.688282  0.562782  1
  Al  Al72  1  0.063647  0.063270  0.063270  1
  Al  Al73  1  0.063095  0.063172  0.562947  1
  Al  Al74  1  0.063095  0.562947  0.063172  1
  Al  Al75  1  0.063238  0.562782  0.562782  1
  Al  Al76  1  0.567720  0.059917  0.059917  1
  Al  Al77  1  0.562995  0.063115  0.562015  1
  Al  Al78  1  0.562995  0.562015  0.063115  1
  Al  Al79  1  0.562757  0.563273  0.563273  1
  Al  Al80  1  0.063647  0.187795  0.187795  1
  Al  Al81  1  0.063095  0.187893  0.688117  1
  Al  Al82  1  0.063095  0.688117  0.187893  1
  Al  Al83  1  0.063238  0.688282  0.688282  1
  Al  Al84  1  0.567720  0.191148  0.191148  1
  Al  Al85  1  0.562995  0.187950  0.689049  1
  Al  Al86  1  0.562995  0.689049  0.187950  1
  Al  Al87  1  0.562757  0.687792  0.687792  1
  Al  Al88  1  0.183345  0.059917  0.191148  1
  Al  Al89  1  0.188069  0.063115  0.689049  1
  Al  Al90  1  0.188069  0.562015  0.187950  1
  Al  Al91  1  0.188307  0.563273  0.687792  1
  Al  Al92  1  0.687417  0.063270  0.187795  1
  Al  Al93  1  0.687969  0.063172  0.688117  1
  Al  Al94  1  0.687969  0.562947  0.187893  1
  Al  Al95  1  0.687827  0.562782  0.688282  1
  Al  Al96  1  0.190510  0.433438  0.310554  1
  Al  Al97  1  0.187909  0.438678  0.812386  1
  Al  Al98  1  0.185844  0.935844  0.315220  1
  Al  Al99  1  0.190510  0.940510  0.817626  1
  Al  Al100  1  0.688678  0.438678  0.313155  1
  Al  Al101  1  0.686645  0.436645  0.814419  1
  Al  Al102  1  0.683438  0.940510  0.310554  1
  Al  Al103  1  0.688678  0.937909  0.812386  1
  Al  Al104  1  0.067626  0.310554  0.310554  1
  Al  Al105  1  0.062386  0.313155  0.812386  1
  Al  Al106  1  0.062386  0.812386  0.313155  1
  Al  Al107  1  0.064419  0.814419  0.814419  1
  Al  Al108  1  0.565220  0.315220  0.315220  1
  Al  Al109  1  0.560554  0.310554  0.817626  1
  Al  Al110  1  0.560554  0.817626  0.310554  1
  Al  Al111  1  0.563155  0.812386  0.812386  1
  Al  Al112  1  0.064419  0.436645  0.436645  1
  Al  Al113  1  0.062386  0.438678  0.937909  1
  Al  Al114  1  0.062386  0.937909  0.438678  1
  Al  Al115  1  0.067626  0.940510  0.940510  1
  Al  Al116  1  0.563155  0.438678  0.438678  1
  Al  Al117  1  0.560554  0.433438  0.940510  1
  Al  Al118  1  0.560554  0.940510  0.433438  1
  Al  Al119  1  0.565220  0.935844  0.935844  1
  Al  Al120  1  0.190510  0.310554  0.433438  1
  Al  Al121  1  0.185844  0.315220  0.935844  1
  Al  Al122  1  0.187909  0.812386  0.438678  1
  Al  Al123  1  0.190510  0.817626  0.940510  1
  Al  Al124  1  0.688678  0.313155  0.438678  1
  Al  Al125  1  0.683438  0.310554  0.940510  1
  Al  Al126  1  0.686645  0.814419  0.436645  1
  Al  Al127  1  0.688678  0.812386  0.937909  1
  Al  Al128  1  0.441148  0.191148  0.317720  1
  Al  Al129  1  0.437795  0.187795  0.813647  1
  Al  Al130  1  0.437950  0.689049  0.312995  1
  Al  Al131  1  0.437893  0.688117  0.813095  1
  Al  Al132  1  0.939049  0.187950  0.312995  1
  Al  Al133  1  0.938117  0.187893  0.813095  1
  Al  Al134  1  0.937792  0.687792  0.312757  1
  Al  Al135  1  0.938282  0.688282  0.813238  1
  Al  Al136  1  0.309917  0.059917  0.317720  1
  Al  Al137  1  0.313270  0.063270  0.813647  1
  Al  Al138  1  0.313115  0.562015  0.312995  1
  Al  Al139  1  0.313172  0.562947  0.813095  1
  Al  Al140  1  0.812015  0.063115  0.312995  1
  Al  Al141  1  0.812947  0.063172  0.813095  1
  Al  Al142  1  0.813273  0.563273  0.312757  1
  Al  Al143  1  0.812782  0.562782  0.813238  1
  Al  Al144  1  0.313270  0.187795  0.437417  1
  Al  Al145  1  0.309917  0.191148  0.933345  1
  Al  Al146  1  0.313172  0.688117  0.437969  1
  Al  Al147  1  0.313115  0.689049  0.938069  1
  Al  Al148  1  0.812947  0.187893  0.437969  1
  Al  Al149  1  0.812015  0.187950  0.938069  1
  Al  Al150  1  0.812782  0.688282  0.437827  1
  Al  Al151  1  0.813273  0.687792  0.938307  1
  Al  Al152  1  0.437795  0.063270  0.437417  1
  Al  Al153  1  0.441148  0.059917  0.933345  1
  Al  Al154  1  0.437893  0.562947  0.437969  1
  Al  Al155  1  0.437950  0.562015  0.938069  1
  Al  Al156  1  0.938117  0.063172  0.437969  1
  Al  Al157  1  0.939049  0.063115  0.938069  1
  Al  Al158  1  0.938282  0.562782  0.437827  1
  Al  Al159  1  0.937792  0.563273  0.938307  1
  Al  Al160  1  0.437795  0.437417  0.063270  1
  Al  Al161  1  0.437893  0.437969  0.562947  1
  Al  Al162  1  0.441148  0.933345  0.059917  1
  Al  Al163  1  0.437950  0.938069  0.562015  1
  Al  Al164  1  0.938117  0.437969  0.063172  1
  Al  Al165  1  0.938282  0.437827  0.562782  1
  Al  Al166  1  0.939049  0.938069  0.063115  1
  Al  Al167  1  0.937792  0.938307  0.563273  1
  Al  Al168  1  0.309917  0.317720  0.059917  1
  Al  Al169  1  0.313115  0.312995  0.562015  1
  Al  Al170  1  0.313270  0.813647  0.063270  1
  Al  Al171  1  0.313172  0.813095  0.562947  1
  Al  Al172  1  0.812015  0.312995  0.063115  1
  Al  Al173  1  0.813273  0.312757  0.563273  1
  Al  Al174  1  0.812947  0.813095  0.063172  1
  Al  Al175  1  0.812782  0.813238  0.562782  1
  Al  Al176  1  0.313270  0.437417  0.187795  1
  Al  Al177  1  0.313172  0.437969  0.688117  1
  Al  Al178  1  0.309917  0.933345  0.191148  1
  Al  Al179  1  0.313115  0.938069  0.689049  1
  Al  Al180  1  0.812947  0.437969  0.187893  1
  Al  Al181  1  0.812782  0.437827  0.688282  1
  Al  Al182  1  0.812015  0.938069  0.187950  1
  Al  Al183  1  0.813273  0.938307  0.687792  1
  Al  Al184  1  0.441148  0.317720  0.191148  1
  Al  Al185  1  0.437950  0.312995  0.689049  1
  Al  Al186  1  0.437795  0.813647  0.187795  1
  Al  Al187  1  0.437893  0.813095  0.688117  1
  Al  Al188  1  0.939049  0.312995  0.187950  1
  Al  Al189  1  0.937792  0.312757  0.687792  1
  Al  Al190  1  0.938117  0.813095  0.187893  1
  Al  Al191  1  0.938282  0.813238  0.688282  1
