# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.97118772
_cell_length_b   59.17729369
_cell_length_c   7.58633303
_cell_angle_alpha   90.00000000
_cell_angle_beta   116.16353378
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm159
_cell_volume   5629.55090589
_cell_formula_units_Z   159
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  0.131523  0.003003  0.239685  1
  Sm  Sm2  1  0.131806  0.004726  0.735137  1
  Sm  Sm3  1  0.131017  0.203220  0.247457  1
  Sm  Sm4  1  0.141379  0.190349  0.780366  1
  Sm  Sm5  1  0.133962  0.402435  0.240596  1
  Sm  Sm6  1  0.134082  0.401991  0.741963  1
  Sm  Sm7  1  0.133515  0.602582  0.240368  1
  Sm  Sm8  1  0.133532  0.602560  0.740455  1
  Sm  Sm9  1  0.133383  0.802667  0.240253  1
  Sm  Sm10  1  0.133307  0.802778  0.739830  1
  Sm  Sm11  1  0.383350  1.002462  0.237507  1
  Sm  Sm12  1  0.384985  1.001386  0.743551  1
  Sm  Sm13  1  0.381980  0.201815  0.242662  1
  Sm  Sm14  1  0.381144  0.204085  0.731459  1
  Sm  Sm15  1  0.383403  0.402651  0.240122  1
  Sm  Sm16  1  0.383002  0.402977  0.738653  1
  Sm  Sm17  1  0.383480  0.602598  0.240324  1
  Sm  Sm18  1  0.383460  0.602619  0.740238  1
  Sm  Sm19  1  0.383534  0.802601  0.240310  1
  Sm  Sm20  1  0.383644  0.802504  0.740774  1
  Sm  Sm21  1  0.634222  1.002144  0.240030  1
  Sm  Sm22  1  0.631945  0.003255  0.735609  1
  Sm  Sm23  1  0.632418  0.202350  0.236621  1
  Sm  Sm24  1  0.635332  0.202947  0.743818  1
  Sm  Sm25  1  0.633394  0.402697  0.240257  1
  Sm  Sm26  1  0.633911  0.402362  0.741918  1
  Sm  Sm27  1  0.633492  0.602597  0.240362  1
  Sm  Sm28  1  0.633515  0.602577  0.740452  1
  Sm  Sm29  1  0.633513  0.802589  0.240407  1
  Sm  Sm30  1  0.633392  0.802687  0.739975  1
  Sm  Sm31  1  0.883823  0.002963  0.241133  1
  Sm  Sm32  1  0.884202  1.001721  0.745363  1
  Sm  Sm33  1  0.883555  0.202480  0.239993  1
  Sm  Sm34  1  0.879171  0.204167  0.729340  1
  Sm  Sm35  1  0.883548  0.402492  0.240838  1
  Sm  Sm36  1  0.883174  0.402851  0.739066  1
  Sm  Sm37  1  0.883491  0.602590  0.240376  1
  Sm  Sm38  1  0.883470  0.602611  0.740283  1
  Sm  Sm39  1  0.883508  0.802629  0.240415  1
  Sm  Sm40  1  0.883597  0.802529  0.740830  1
  Sm  Sm41  1  0.131017  0.101979  0.247457  1
  Sm  Sm42  1  0.141379  0.114850  0.780366  1
  Sm  Sm43  1  0.131523  0.302196  0.239685  1
  Sm  Sm44  1  0.131806  0.300473  0.735137  1
  Sm  Sm45  1  0.133383  0.502532  0.240253  1
  Sm  Sm46  1  0.133307  0.502421  0.739830  1
  Sm  Sm47  1  0.133515  0.702617  0.240368  1
  Sm  Sm48  1  0.133532  0.702639  0.740455  1
  Sm  Sm49  1  0.133962  0.902763  0.240596  1
  Sm  Sm50  1  0.134082  0.903208  0.741963  1
  Sm  Sm51  1  0.381980  0.103384  0.242662  1
  Sm  Sm52  1  0.381144  0.101113  0.731459  1
  Sm  Sm53  1  0.383350  0.302736  0.237507  1
  Sm  Sm54  1  0.384985  0.303813  0.743551  1
  Sm  Sm55  1  0.383534  0.502598  0.240310  1
  Sm  Sm56  1  0.383644  0.502695  0.740774  1
  Sm  Sm57  1  0.383480  0.702601  0.240324  1
  Sm  Sm58  1  0.383460  0.702580  0.740238  1
  Sm  Sm59  1  0.383403  0.902548  0.240122  1
  Sm  Sm60  1  0.383002  0.902222  0.738653  1
  Sm  Sm61  1  0.632418  0.102849  0.236621  1
  Sm  Sm62  1  0.635332  0.102252  0.743818  1
  Sm  Sm63  1  0.634222  0.303055  0.240030  1
  Sm  Sm64  1  0.631945  0.301943  0.735609  1
  Sm  Sm65  1  0.633513  0.502610  0.240407  1
  Sm  Sm66  1  0.633392  0.502512  0.739975  1
  Sm  Sm67  1  0.633492  0.702602  0.240362  1
  Sm  Sm68  1  0.633515  0.702622  0.740452  1
  Sm  Sm69  1  0.633394  0.902502  0.240257  1
  Sm  Sm70  1  0.633911  0.902837  0.741918  1
  Sm  Sm71  1  0.883555  0.102719  0.239993  1
  Sm  Sm72  1  0.879171  0.101031  0.729340  1
  Sm  Sm73  1  0.883823  0.302236  0.241133  1
  Sm  Sm74  1  0.884202  0.303477  0.745363  1
  Sm  Sm75  1  0.883508  0.502570  0.240415  1
  Sm  Sm76  1  0.883597  0.502670  0.740830  1
  Sm  Sm77  1  0.883491  0.702609  0.240376  1
  Sm  Sm78  1  0.883470  0.702588  0.740283  1
  Sm  Sm79  1  0.883548  0.902707  0.240838  1
  Sm  Sm80  1  0.883174  0.902348  0.739066  1
  Sm  Sm81  1  0.202176  0.152599  0.466175  1
  Sm  Sm82  1  0.199511  0.351724  -0.001026  1
  Sm  Sm83  1  0.200027  0.352300  0.500731  1
  Sm  Sm84  1  0.200296  0.552523  0.000615  1
  Sm  Sm85  1  0.200325  0.552564  0.500751  1
  Sm  Sm86  1  0.200296  0.752676  0.000615  1
  Sm  Sm87  1  0.200325  0.752634  0.500751  1
  Sm  Sm88  1  0.199511  0.953475  -0.001026  1
  Sm  Sm89  1  0.200027  0.952899  0.500731  1
  Sm  Sm90  1  0.437106  0.152599  -0.001290  1
  Sm  Sm91  1  0.457400  0.152599  0.514172  1
  Sm  Sm92  1  0.450835  0.353203  0.001831  1
  Sm  Sm93  1  0.450173  0.352774  0.500262  1
  Sm  Sm94  1  0.450392  0.552641  0.000881  1
  Sm  Sm95  1  0.450362  0.552601  0.500755  1
  Sm  Sm96  1  0.450392  0.752558  0.000881  1
  Sm  Sm97  1  0.450362  0.752597  0.500755  1
  Sm  Sm98  1  0.450835  0.951996  0.001831  1
  Sm  Sm99  1  0.450173  0.952425  0.500262  1
  Sm  Sm100  1  0.699259  0.152599  -0.000120  1
  Sm  Sm101  1  0.696637  0.152599  0.498561  1
  Sm  Sm102  1  0.700553  0.352205  -0.000070  1
  Sm  Sm103  1  0.700464  0.352743  0.501141  1
  Sm  Sm104  1  0.700355  0.552554  0.000686  1
  Sm  Sm105  1  0.700376  0.552595  0.500808  1
  Sm  Sm106  1  0.700355  0.752645  0.000686  1
  Sm  Sm107  1  0.700376  0.752604  0.500808  1
  Sm  Sm108  1  0.700553  0.952994  -0.000070  1
  Sm  Sm109  1  0.700464  0.952456  0.501141  1
  Sm  Sm110  1  0.955279  0.152599  0.990127  1
  Sm  Sm111  1  0.939912  0.152599  0.481559  1
  Sm  Sm112  1  0.950684  0.352995  0.002096  1
  Sm  Sm113  1  0.950636  0.352228  0.500812  1
  Sm  Sm114  1  0.950407  0.552619  0.000913  1
  Sm  Sm115  1  0.950387  0.552574  0.500792  1
  Sm  Sm116  1  0.950407  0.752580  0.000913  1
  Sm  Sm117  1  0.950387  0.752625  0.500792  1
  Sm  Sm118  1  0.950684  0.952204  0.002096  1
  Sm  Sm119  1  0.950636  0.952971  0.500812  1
  Sm  Sm120  1  0.068481  0.055855  0.490203  1
  Sm  Sm121  1  0.066503  0.053753  0.978190  1
  Sm  Sm122  1  0.068481  0.249344  0.490203  1
  Sm  Sm123  1  0.066503  0.251446  0.978190  1
  Sm  Sm124  1  0.066790  0.452315  0.480390  1
  Sm  Sm125  1  0.066701  0.452485  0.979926  1
  Sm  Sm126  1  0.066651  0.652599  0.480011  1
  Sm  Sm127  1  0.066638  0.652599  0.979944  1
  Sm  Sm128  1  0.066790  0.852884  0.480390  1
  Sm  Sm129  1  0.066701  0.852714  0.979926  1
  Sm  Sm130  1  0.317944  0.050926  0.474335  1
  Sm  Sm131  1  0.313647  0.053783  0.975355  1
  Sm  Sm132  1  0.317944  0.254273  0.474335  1
  Sm  Sm133  1  0.313647  0.251415  0.975355  1
  Sm  Sm134  1  0.316461  0.452748  0.479484  1
  Sm  Sm135  1  0.316477  0.452567  0.979824  1
  Sm  Sm136  1  0.316591  0.652599  0.479853  1
  Sm  Sm137  1  0.316603  0.652599  0.979917  1
  Sm  Sm138  1  0.316461  0.852451  0.479484  1
  Sm  Sm139  1  0.316477  0.852632  0.979824  1
  Sm  Sm140  1  0.565349  0.053229  0.477615  1
  Sm  Sm141  1  0.564520  0.052302  0.977863  1
  Sm  Sm142  1  0.565349  0.251970  0.477615  1
  Sm  Sm143  1  0.564520  0.252897  0.977863  1
  Sm  Sm144  1  0.566691  0.452486  0.480271  1
  Sm  Sm145  1  0.566611  0.452631  0.979882  1
  Sm  Sm146  1  0.566638  0.652599  0.479998  1
  Sm  Sm147  1  0.566625  0.652599  0.979934  1
  Sm  Sm148  1  0.566691  0.852713  0.480271  1
  Sm  Sm149  1  0.566611  0.852568  0.979882  1
  Sm  Sm150  1  0.811469  0.051307  0.474321  1
  Sm  Sm151  1  0.818115  0.052630  0.982049  1
  Sm  Sm152  1  0.811469  0.253892  0.474321  1
  Sm  Sm153  1  0.818115  0.252569  0.982049  1
  Sm  Sm154  1  0.816584  0.452722  0.479677  1
  Sm  Sm155  1  0.816712  0.452575  0.980109  1
  Sm  Sm156  1  0.816616  0.652599  0.479887  1
  Sm  Sm157  1  0.816630  0.652599  0.979953  1
  Sm  Sm158  1  0.816584  0.852476  0.479677  1
  Sm  Sm159  1  0.816712  0.852624  0.980109  1
