# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.73367932
_cell_length_b   12.55093661
_cell_length_c   48.51555271
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm96
_cell_volume   7144.82069663
_cell_formula_units_Z   96
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  0.021701  0.392067  0.258217  1
  Sm  Sm2  1  0.057318  0.095693  0.277021  1
  Sm  Sm3  1  0.007512  0.806604  0.298702  1
  Sm  Sm4  1  0.492217  0.392067  0.258217  1
  Sm  Sm5  1  0.456600  0.095693  0.277021  1
  Sm  Sm6  1  0.506406  0.806604  0.298702  1
  Sm  Sm7  1  0.756959  0.353999  0.294469  1
  Sm  Sm8  1  0.756959  0.081261  0.310445  1
  Sm  Sm9  1  0.756959  0.631540  0.274959  1
  Sm  Sm10  1  0.256959  0.582455  0.277316  1
  Sm  Sm11  1  0.256959  0.295788  0.301332  1
  Sm  Sm12  1  0.256959  0.865421  0.258114  1
  Sm  Sm13  1  1.005265  0.535603  0.321033  1
  Sm  Sm14  1  1.005258  0.264907  0.338532  1
  Sm  Sm15  1  1.001522  1.003247  0.357932  1
  Sm  Sm16  1  0.508653  0.535603  0.321033  1
  Sm  Sm17  1  0.508660  0.264907  0.338532  1
  Sm  Sm18  1  0.512396  1.003247  0.357932  1
  Sm  Sm19  1  0.756959  0.569871  0.354117  1
  Sm  Sm20  1  0.756959  0.308601  0.371677  1
  Sm  Sm21  1  0.756959  0.824858  0.336262  1
  Sm  Sm22  1  0.256959  0.716552  0.341197  1
  Sm  Sm23  1  0.256959  0.448607  0.362309  1
  Sm  Sm24  1  0.256959  0.989833  0.325128  1
  Sm  Sm25  1  0.010104  0.743153  0.377866  1
  Sm  Sm26  1  1.005694  0.479251  0.397352  1
  Sm  Sm27  1  1.005305  0.215230  0.416230  1
  Sm  Sm28  1  0.503814  0.743153  0.377866  1
  Sm  Sm29  1  0.508224  0.479251  0.397352  1
  Sm  Sm30  1  0.508613  0.215230  0.416230  1
  Sm  Sm31  1  0.756959  0.781472  0.412480  1
  Sm  Sm32  1  0.756959  0.515915  0.432163  1
  Sm  Sm33  1  0.756959  0.047723  0.392046  1
  Sm  Sm34  1  0.256959  0.915457  0.400891  1
  Sm  Sm35  1  0.256959  0.649960  0.420404  1
  Sm  Sm36  1  0.256959  0.181167  0.381218  1
  Sm  Sm37  1  1.006063  0.951253  0.436075  1
  Sm  Sm38  1  1.006580  0.686657  0.455512  1
  Sm  Sm39  1  1.006784  0.421906  0.475028  1
  Sm  Sm40  1  0.507855  0.951253  0.436075  1
  Sm  Sm41  1  0.507338  0.686657  0.455512  1
  Sm  Sm42  1  0.507134  0.421906  0.475028  1
  Sm  Sm43  1  0.756959  0.988554  0.470994  1
  Sm  Sm44  1  0.756959  0.724055  0.490713  1
  Sm  Sm45  1  0.756959  0.252701  0.451594  1
  Sm  Sm46  1  0.256959  0.120373  0.459090  1
  Sm  Sm47  1  0.256959  0.855736  0.479006  1
  Sm  Sm48  1  0.256959  0.384987  0.439727  1
  Sm  Sm49  1  0.006990  0.157523  0.494478  1
  Sm  Sm50  1  1.006715  0.893249  0.514157  1
  Sm  Sm51  1  0.007135  0.629087  0.533555  1
  Sm  Sm52  1  0.506928  0.157523  0.494478  1
  Sm  Sm53  1  0.507203  0.893249  0.514157  1
  Sm  Sm54  1  0.506783  0.629087  0.533555  1
  Sm  Sm55  1  0.756959  0.194565  0.529859  1
  Sm  Sm56  1  0.756959  0.929901  0.549453  1
  Sm  Sm57  1  0.756959  0.459631  0.510268  1
  Sm  Sm58  1  0.256959  0.326543  0.517788  1
  Sm  Sm59  1  0.256959  0.061728  0.537382  1
  Sm  Sm60  1  0.256959  0.591241  0.498353  1
  Sm  Sm61  1  0.007843  0.364611  0.552837  1
  Sm  Sm62  1  0.008119  0.099444  0.572498  1
  Sm  Sm63  1  1.006387  0.835758  0.592299  1
  Sm  Sm64  1  0.506075  0.364611  0.552837  1
  Sm  Sm65  1  0.505799  0.099444  0.572498  1
  Sm  Sm66  1  0.507531  0.835758  0.592299  1
  Sm  Sm67  1  0.756959  0.400294  0.588021  1
  Sm  Sm68  1  0.756959  0.133951  0.607646  1
  Sm  Sm69  1  0.756959  0.665835  0.568936  1
  Sm  Sm70  1  0.256959  0.533356  0.576814  1
  Sm  Sm71  1  0.256959  0.265540  0.595841  1
  Sm  Sm72  1  0.256959  0.798359  0.557320  1
  Sm  Sm73  1  1.005090  0.574267  0.611320  1
  Sm  Sm74  1  0.012556  0.313636  0.629891  1
  Sm  Sm75  1  0.007273  0.050409  0.649569  1
  Sm  Sm76  1  0.508828  0.574267  0.611320  1
  Sm  Sm77  1  0.501362  0.313636  0.629891  1
  Sm  Sm78  1  0.506645  0.050409  0.649569  1
  Sm  Sm79  1  0.756959  0.596570  0.647628  1
  Sm  Sm80  1  0.756959  0.319353  0.663840  1
  Sm  Sm81  1  0.756959  0.868225  0.628838  1
  Sm  Sm82  1  0.256959  0.742343  0.635927  1
  Sm  Sm83  1  0.256959  0.484109  0.653206  1
  Sm  Sm84  1  0.256959  1.003459  0.616803  1
  Sm  Sm85  1  0.007805  0.784366  0.670604  1
  Sm  Sm86  1  1.004516  0.507713  0.689520  1
  Sm  Sm87  1  0.991894  0.224737  0.709916  1
  Sm  Sm88  1  0.506113  0.784366  0.670604  1
  Sm  Sm89  1  0.509402  0.507713  0.689520  1
  Sm  Sm90  1  0.522024  0.224737  0.709916  1
  Sm  Sm91  1  0.756959  0.729244  0.711751  1
  Sm  Sm92  1  0.756959  0.427869  0.728734  1
  Sm  Sm93  1  0.756959  0.033060  0.692202  1
  Sm  Sm94  1  0.256959  0.957418  0.695908  1
  Sm  Sm95  1  0.256959  0.665650  0.713031  1
  Sm  Sm96  1  0.256959  0.227264  0.674780  1
