# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83639540
_cell_length_b   36.01973873
_cell_length_c   45.68028340
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.90600089
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm84
_cell_volume   6311.58464616
_cell_formula_units_Z   84
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  0.978050  0.265474  0.296777  1
  Sm  Sm2  1  0.509674  0.929107  0.318446  1
  Sm  Sm3  1  0.062548  0.593534  0.339650  1
  Sm  Sm4  1  0.600750  0.095180  0.338271  1
  Sm  Sm5  1  0.430953  0.761688  0.294884  1
  Sm  Sm6  1  0.014298  0.429456  0.318101  1
  Sm  Sm7  1  0.110320  0.016013  0.310494  1
  Sm  Sm8  1  0.667858  0.678771  0.332086  1
  Sm  Sm9  1  0.567622  0.351684  0.287274  1
  Sm  Sm10  1  0.393964  0.179481  0.300239  1
  Sm  Sm11  1  0.928509  0.843106  0.322246  1
  Sm  Sm12  1  0.484032  0.508088  0.344698  1
  Sm  Sm13  1  0.563521  0.255506  0.363094  1
  Sm  Sm14  1  0.097906  0.916737  0.384857  1
  Sm  Sm15  1  0.648371  0.578221  0.406222  1
  Sm  Sm16  1  0.147891  0.077518  0.404682  1
  Sm  Sm17  1  0.071555  0.755841  0.364730  1
  Sm  Sm18  1  0.602856  0.414888  0.384757  1
  Sm  Sm19  1  0.710404  1.000327  0.377362  1
  Sm  Sm20  1  0.252222  0.662551  0.399649  1
  Sm  Sm21  1  0.183431  0.338962  0.354869  1
  Sm  Sm22  1  0.982764  0.171880  0.369158  1
  Sm  Sm23  1  0.501347  0.832653  0.389859  1
  Sm  Sm24  1  0.042243  0.493088  0.411019  1
  Sm  Sm25  1  0.173821  0.239441  0.429699  1
  Sm  Sm26  1  0.700385  0.901076  0.450971  1
  Sm  Sm27  1  0.237327  0.562935  0.472269  1
  Sm  Sm28  1  0.739000  0.063276  0.472128  1
  Sm  Sm29  1  0.663575  0.739082  0.429551  1
  Sm  Sm30  1  0.200613  0.401202  0.450984  1
  Sm  Sm31  1  0.309516  0.986223  0.444242  1
  Sm  Sm32  1  0.841294  0.647780  0.466752  1
  Sm  Sm33  1  0.778116  0.324174  0.422415  1
  Sm  Sm34  1  0.571058  0.154393  0.434805  1
  Sm  Sm35  1  0.094341  0.816354  0.456879  1
  Sm  Sm36  1  0.631467  0.478345  0.478384  1
  Sm  Sm37  1  0.760784  0.224930  0.496074  1
  Sm  Sm38  1  0.295374  0.886456  0.517433  1
  Sm  Sm39  1  0.829963  0.547981  0.538793  1
  Sm  Sm40  1  0.327968  0.048276  0.538771  1
  Sm  Sm41  1  0.262779  0.724636  0.496096  1
  Sm  Sm42  1  0.795374  0.386456  0.517433  1
  Sm  Sm43  1  0.901877  0.971180  0.511033  1
  Sm  Sm44  1  0.429721  0.632671  0.533406  1
  Sm  Sm45  1  0.368228  0.309572  0.489554  1
  Sm  Sm46  1  0.161026  0.140241  0.501461  1
  Sm  Sm47  1  0.688870  0.801732  0.523833  1
  Sm  Sm48  1  0.222519  0.463339  0.545312  1
  Sm  Sm49  1  0.353420  0.209977  0.562598  1
  Sm  Sm50  1  0.890362  0.871836  0.583895  1
  Sm  Sm51  1  0.416926  0.533470  0.605168  1
  Sm  Sm52  1  0.927172  0.033830  0.605315  1
  Sm  Sm53  1  0.851748  0.709635  0.562738  1
  Sm  Sm54  1  0.390135  0.371709  0.583882  1
  Sm  Sm55  1  0.496406  0.956557  0.577988  1
  Sm  Sm56  1  0.019690  0.618518  0.600062  1
  Sm  Sm57  1  0.959280  0.294567  0.556482  1
  Sm  Sm58  1  0.749453  0.125131  0.568115  1
  Sm  Sm59  1  0.281231  0.786689  0.590625  1
  Sm  Sm60  1  0.812632  0.448737  0.612452  1
  Sm  Sm61  1  0.942376  0.194691  0.628644  1
  Sm  Sm62  1  0.492842  0.856174  0.650010  1
  Sm  Sm63  1  0.027226  0.517406  0.671773  1
  Sm  Sm64  1  0.519192  0.017071  0.670137  1
  Sm  Sm65  1  0.442856  0.695393  0.630184  1
  Sm  Sm66  1  -0.012109  0.358023  0.650109  1
  Sm  Sm67  1  0.089400  0.940259  0.645008  1
  Sm  Sm68  1  0.607983  0.601032  0.665708  1
  Sm  Sm69  1  0.548504  0.279824  0.623847  1
  Sm  Sm70  1  0.338525  0.110361  0.635217  1
  Sm  Sm71  1  0.880343  0.772584  0.657504  1
  Sm  Sm72  1  0.407316  0.433950  0.679998  1
  Sm  Sm73  1  0.528199  0.179377  0.695217  1
  Sm  Sm74  1  0.081073  0.843805  0.716420  1
  Sm  Sm75  1  0.612698  0.507437  0.738089  1
  Sm  Sm76  1  0.159794  0.011223  0.739982  1
  Sm  Sm77  1  -0.010003  0.677731  0.696595  1
  Sm  Sm78  1  0.576449  0.343455  0.716765  1
  Sm  Sm79  1  0.662238  0.929805  0.712621  1
  Sm  Sm80  1  0.196783  0.593431  0.734627  1
  Sm  Sm81  1  0.106716  0.264824  0.690168  1
  Sm  Sm82  1  0.922889  0.094140  0.702780  1
  Sm  Sm83  1  0.480427  0.756899  0.724372  1
  Sm  Sm84  1  0.023125  0.421227  0.747592  1
