# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.77966297
_cell_length_b   13.36709398
_cell_length_c   48.00621031
_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   7559.05125048
_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  0.992573  0.149162  0.318387  1
  Sm  Sm2  1  1.000519  0.428793  0.337785  1
  Sm  Sm3  1  0.016770  0.854791  0.302975  1
  Sm  Sm4  1  0.517387  0.149162  0.318387  1
  Sm  Sm5  1  0.509441  0.428793  0.337785  1
  Sm  Sm6  1  0.493190  0.854791  0.302975  1
  Sm  Sm7  1  0.754980  0.965128  0.325710  1
  Sm  Sm8  1  0.754980  0.399348  0.290294  1
  Sm  Sm9  1  0.754980  0.679372  0.308009  1
  Sm  Sm10  1  0.254980  0.316529  0.314353  1
  Sm  Sm11  1  0.254980  0.608916  0.324851  1
  Sm  Sm12  1  0.254980  0.040085  0.297775  1
  Sm  Sm13  1  0.006681  0.980301  0.375189  1
  Sm  Sm14  1  0.008993  0.257374  0.394128  1
  Sm  Sm15  1  1.004225  0.696054  0.360082  1
  Sm  Sm16  1  0.503279  0.980301  0.375189  1
  Sm  Sm17  1  0.500967  0.257374  0.394128  1
  Sm  Sm18  1  0.505735  0.696054  0.360082  1
  Sm  Sm19  1  0.754980  0.801591  0.381167  1
  Sm  Sm20  1  0.754980  0.243819  0.348656  1
  Sm  Sm21  1  0.754980  0.520401  0.366391  1
  Sm  Sm22  1  0.254980  0.155475  0.369842  1
  Sm  Sm23  1  0.254980  0.438845  0.386685  1
  Sm  Sm24  1  0.254980  0.872078  0.353232  1
  Sm  Sm25  1  0.005905  0.811994  0.431305  1
  Sm  Sm26  1  0.005386  0.089450  0.449822  1
  Sm  Sm27  1  1.003491  0.529953  0.414776  1
  Sm  Sm28  1  0.504055  0.811994  0.431305  1
  Sm  Sm29  1  0.504575  0.089450  0.449822  1
  Sm  Sm30  1  0.506469  0.529953  0.414776  1
  Sm  Sm31  1  0.754980  0.635775  0.437264  1
  Sm  Sm32  1  0.754980  0.075852  0.400334  1
  Sm  Sm33  1  0.754980  0.352913  0.419909  1
  Sm  Sm34  1  0.254980  0.990438  0.425460  1
  Sm  Sm35  1  0.254980  0.268530  0.444169  1
  Sm  Sm36  1  0.254980  0.708449  0.407669  1
  Sm  Sm37  1  0.005186  0.645619  0.487216  1
  Sm  Sm38  1  0.005027  0.923655  0.505395  1
  Sm  Sm39  1  0.005009  0.365682  0.469102  1
  Sm  Sm40  1  0.504774  0.645619  0.487216  1
  Sm  Sm41  1  0.504933  0.923655  0.505395  1
  Sm  Sm42  1  0.504951  0.365682  0.469102  1
  Sm  Sm43  1  0.754980  0.467996  0.492809  1
  Sm  Sm44  1  0.754980  0.911779  0.455711  1
  Sm  Sm45  1  0.754980  0.188321  0.474656  1
  Sm  Sm46  1  0.254980  0.823168  0.481018  1
  Sm  Sm47  1  0.254980  0.101531  0.499691  1
  Sm  Sm48  1  0.254980  0.544652  0.463014  1
  Sm  Sm49  1  0.005498  0.479467  0.542445  1
  Sm  Sm50  1  0.005653  0.759372  0.560666  1
  Sm  Sm51  1  0.005166  0.200710  0.524099  1
  Sm  Sm52  1  0.504462  0.479467  0.542445  1
  Sm  Sm53  1  0.504308  0.759372  0.560666  1
  Sm  Sm54  1  0.504794  0.200710  0.524099  1
  Sm  Sm55  1  0.754980  0.302000  0.548341  1
  Sm  Sm56  1  0.754980  0.746162  0.511142  1
  Sm  Sm57  1  0.754980  0.023152  0.529808  1
  Sm  Sm58  1  0.254980  0.657517  0.537145  1
  Sm  Sm59  1  0.254980  0.936009  0.554605  1
  Sm  Sm60  1  0.254980  0.378608  0.518476  1
  Sm  Sm61  1  0.005907  0.313911  0.597702  1
  Sm  Sm62  1  0.006348  0.595072  0.614608  1
  Sm  Sm63  1  1.003516  0.033616  0.579912  1
  Sm  Sm64  1  0.504053  0.313911  0.597702  1
  Sm  Sm65  1  0.503612  0.595072  0.614608  1
  Sm  Sm66  1  0.506444  0.033616  0.579912  1
  Sm  Sm67  1  0.754980  0.137876  0.603362  1
  Sm  Sm68  1  0.754980  0.580252  0.566520  1
  Sm  Sm69  1  0.754980  0.855196  0.585669  1
  Sm  Sm70  1  0.254980  0.490077  0.592731  1
  Sm  Sm71  1  0.254980  0.774547  0.610978  1
  Sm  Sm72  1  0.254980  0.212829  0.574213  1
  Sm  Sm73  1  0.009924  0.147557  0.652286  1
  Sm  Sm74  1  0.005376  0.431383  0.669066  1
  Sm  Sm75  1  1.002828  0.866613  0.636880  1
  Sm  Sm76  1  0.500037  0.147557  0.652286  1
  Sm  Sm77  1  0.504584  0.431383  0.669066  1
  Sm  Sm78  1  0.507132  0.866613  0.636880  1
  Sm  Sm79  1  0.754980  0.968551  0.656355  1
  Sm  Sm80  1  0.754980  0.413752  0.622335  1
  Sm  Sm81  1  0.754980  0.682365  0.643097  1
  Sm  Sm82  1  0.254980  0.322749  0.649368  1
  Sm  Sm83  1  0.254980  0.607301  0.663403  1
  Sm  Sm84  1  0.254980  0.046535  0.628056  1
  Sm  Sm85  1  0.958370  -0.003620  0.711121  1
  Sm  Sm86  1  0.992986  0.273449  0.725780  1
  Sm  Sm87  1  0.012940  0.699227  0.692830  1
  Sm  Sm88  1  0.551590  -0.003620  0.711121  1
  Sm  Sm89  1  0.516974  0.273449  0.725780  1
  Sm  Sm90  1  0.497020  0.699227  0.692830  1
  Sm  Sm91  1  0.754980  0.799529  0.714017  1
  Sm  Sm92  1  0.754980  0.240634  0.679029  1
  Sm  Sm93  1  0.754980  0.511952  0.704013  1
  Sm  Sm94  1  0.254980  0.152188  0.704609  1
  Sm  Sm95  1  0.254980  0.444852  0.721143  1
  Sm  Sm96  1  0.254980  0.887204  0.686594  1
