# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.29019777
_cell_length_b   10.40929438
_cell_length_c   46.03270804
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.20322274
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm72
_cell_volume   5884.71613369
_cell_formula_units_Z   72
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  0.381446  0.348089  0.304366  1
  Sm  Sm2  1  0.383602  -0.013767  0.328311  1
  Sm  Sm3  1  0.399023  0.634603  0.353188  1
  Sm  Sm4  1  0.889275  0.304665  0.340975  1
  Sm  Sm5  1  0.903451  0.958191  0.361917  1
  Sm  Sm6  1  0.884455  0.646924  0.315166  1
  Sm  Sm7  1  0.154724  0.450634  0.360142  1
  Sm  Sm8  1  0.122676  0.151606  0.314430  1
  Sm  Sm9  1  0.139067  0.801668  0.339283  1
  Sm  Sm10  1  0.629393  0.162042  0.315018  1
  Sm  Sm11  1  0.642526  0.814857  0.338413  1
  Sm  Sm12  1  0.654819  0.465605  0.360878  1
  Sm  Sm13  1  0.416321  0.276847  0.377325  1
  Sm  Sm14  1  0.443417  0.929204  0.400811  1
  Sm  Sm15  1  0.473630  0.578707  0.424492  1
  Sm  Sm16  1  0.959420  0.254713  0.412266  1
  Sm  Sm17  1  0.985173  0.905005  0.434530  1
  Sm  Sm18  1  0.928010  0.606530  0.389174  1
  Sm  Sm19  1  0.234235  0.400964  0.433895  1
  Sm  Sm20  1  0.180486  0.098254  0.386881  1
  Sm  Sm21  1  0.208913  0.747124  0.410806  1
  Sm  Sm22  1  0.681001  0.112936  0.388629  1
  Sm  Sm23  1  0.707090  0.762899  0.411320  1
  Sm  Sm24  1  0.734399  0.410576  0.434483  1
  Sm  Sm25  1  0.497832  0.230183  0.448036  1
  Sm  Sm26  1  0.525221  0.880278  0.471316  1
  Sm  Sm27  1  0.551325  0.529614  0.494977  1
  Sm  Sm28  1  0.037799  0.204394  0.482465  1
  Sm  Sm29  1  0.062283  0.854639  0.506064  1
  Sm  Sm30  1  0.011195  0.554781  0.459027  1
  Sm  Sm31  1  0.312593  0.349615  0.506096  1
  Sm  Sm32  1  0.260213  0.050060  0.458130  1
  Sm  Sm33  1  0.286649  0.699578  0.482176  1
  Sm  Sm34  1  0.761557  0.060793  0.459249  1
  Sm  Sm35  1  0.787379  0.709822  0.482415  1
  Sm  Sm36  1  0.813176  0.359328  0.506561  1
  Sm  Sm37  1  0.576106  0.178952  0.518892  1
  Sm  Sm38  1  0.601064  0.828846  0.542506  1
  Sm  Sm39  1  0.626844  0.478056  0.566216  1
  Sm  Sm40  1  0.113046  0.154302  0.553783  1
  Sm  Sm41  1  0.137847  0.803715  0.577063  1
  Sm  Sm42  1  0.088117  0.504320  0.529870  1
  Sm  Sm43  1  0.390414  0.297382  0.577496  1
  Sm  Sm44  1  0.337547  -0.000984  0.529857  1
  Sm  Sm45  1  0.363524  0.648464  0.553966  1
  Sm  Sm46  1  0.838412  0.008940  0.530688  1
  Sm  Sm47  1  0.863854  0.658913  0.554189  1
  Sm  Sm48  1  0.890548  0.309045  0.577990  1
  Sm  Sm49  1  0.654757  0.127154  0.590479  1
  Sm  Sm50  1  0.678303  0.780127  0.613278  1
  Sm  Sm51  1  0.707455  0.429263  0.636695  1
  Sm  Sm52  1  0.192738  0.103012  0.624091  1
  Sm  Sm53  1  0.220514  0.750718  0.646782  1
  Sm  Sm54  1  0.166573  0.453599  0.601298  1
  Sm  Sm55  1  0.470998  0.245132  0.648168  1
  Sm  Sm56  1  0.415312  0.947364  0.601247  1
  Sm  Sm57  1  0.443254  0.595729  0.625353  1
  Sm  Sm58  1  0.915762  0.958434  0.602652  1
  Sm  Sm59  1  0.941010  0.609974  0.625400  1
  Sm  Sm60  1  0.971284  0.262199  0.648496  1
  Sm  Sm61  1  0.738943  0.079270  0.663880  1
  Sm  Sm62  1  0.751495  0.726223  0.684689  1
  Sm  Sm63  1  0.768038  0.375089  0.708529  1
  Sm  Sm64  1  0.260634  0.054299  0.695674  1
  Sm  Sm65  1  0.267299  0.709252  0.720451  1
  Sm  Sm66  1  0.246451  0.398495  0.674360  1
  Sm  Sm67  1  0.524261  0.194446  0.721030  1
  Sm  Sm68  1  0.490422  0.892928  0.673529  1
  Sm  Sm69  1  0.508275  0.545164  0.697924  1
  Sm  Sm70  1  0.997609  0.906236  0.675288  1
  Sm  Sm71  1  0.011955  0.558395  0.697127  1
  Sm  Sm72  1  0.025939  0.204862  0.721135  1
