# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.32082635
_cell_length_b   13.24617729
_cell_length_c   47.34817235
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.29823277
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm96
_cell_volume   7593.00182619
_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  0.719770  0.189488  0.319217  1
  Sm  Sm2  1  0.695766  0.480807  0.333838  1
  Sm  Sm3  1  0.730895  0.912182  0.301336  1
  Sm  Sm4  1  0.224094  0.267347  0.290795  1
  Sm  Sm5  1  0.219373  0.553299  0.307295  1
  Sm  Sm6  1  0.220411  0.838381  0.326838  1
  Sm  Sm7  1  0.463914  0.056717  0.309419  1
  Sm  Sm8  1  0.454697  0.340326  0.328503  1
  Sm  Sm9  1  0.493448  0.765215  0.292641  1
  Sm  Sm10  1  0.963653  0.332348  0.325549  1
  Sm  Sm11  1  0.992226  0.765936  0.290015  1
  Sm  Sm12  1  0.991515  0.051642  0.304291  1
  Sm  Sm13  1  0.667765  0.035751  0.374529  1
  Sm  Sm14  1  0.658093  0.317159  0.391136  1
  Sm  Sm15  1  0.689428  0.753597  0.355618  1
  Sm  Sm16  1  0.198932  0.113721  0.349350  1
  Sm  Sm17  1  0.181866  0.395774  0.366329  1
  Sm  Sm18  1  0.158153  0.677032  0.381928  1
  Sm  Sm19  1  0.433032  0.896997  0.366949  1
  Sm  Sm20  1  0.415213  0.180538  0.383987  1
  Sm  Sm21  1  0.437544  0.616841  0.350089  1
  Sm  Sm22  1  0.914986  0.171592  0.381054  1
  Sm  Sm23  1  0.943077  0.611113  0.344299  1
  Sm  Sm24  1  0.929145  0.896515  0.361844  1
  Sm  Sm25  1  0.624804  0.876756  0.428913  1
  Sm  Sm26  1  0.607029  0.158926  0.446990  1
  Sm  Sm27  1  0.641311  0.596466  0.410265  1
  Sm  Sm28  1  0.146376  0.953087  0.401412  1
  Sm  Sm29  1  0.130698  0.235873  0.420082  1
  Sm  Sm30  1  0.114791  0.517402  0.438197  1
  Sm  Sm31  1  0.379214  0.739066  0.420998  1
  Sm  Sm32  1  0.364290  0.020724  0.438689  1
  Sm  Sm33  1  0.397125  0.458764  0.403221  1
  Sm  Sm34  1  0.866492  0.014699  0.436359  1
  Sm  Sm35  1  0.897957  0.453390  0.399037  1
  Sm  Sm36  1  0.883794  0.734256  0.418186  1
  Sm  Sm37  1  0.576652  0.718799  0.483415  1
  Sm  Sm38  1  0.559775  -0.000216  0.501813  1
  Sm  Sm39  1  0.592242  0.438075  0.465107  1
  Sm  Sm40  1  0.099951  0.797233  0.456205  1
  Sm  Sm41  1  0.083170  0.078169  0.474608  1
  Sm  Sm42  1  0.066960  0.358595  0.493346  1
  Sm  Sm43  1  0.332579  0.581683  0.476217  1
  Sm  Sm44  1  0.316528  0.862091  0.494134  1
  Sm  Sm45  1  0.347221  0.301640  0.457406  1
  Sm  Sm46  1  0.819090  0.856029  0.491768  1
  Sm  Sm47  1  0.850962  0.295054  0.454383  1
  Sm  Sm48  1  0.834981  0.575012  0.473224  1
  Sm  Sm49  1  0.527505  0.561011  0.538186  1
  Sm  Sm50  1  0.512624  0.841648  0.556379  1
  Sm  Sm51  1  0.542808  0.280525  0.520074  1
  Sm  Sm52  1  0.051190  0.639550  0.511047  1
  Sm  Sm53  1  0.035797  0.920983  0.529184  1
  Sm  Sm54  1  0.019243  0.200648  0.548120  1
  Sm  Sm55  1  0.283344  0.423816  0.530896  1
  Sm  Sm56  1  0.267645  0.704387  0.549484  1
  Sm  Sm57  1  0.300078  0.142552  0.512289  1
  Sm  Sm58  1  0.770590  0.696818  0.546684  1
  Sm  Sm59  1  0.802583  0.137024  0.509749  1
  Sm  Sm60  1  0.786513  0.416971  0.527989  1
  Sm  Sm61  1  0.477654  0.402366  0.592978  1
  Sm  Sm62  1  0.464251  0.685243  0.611012  1
  Sm  Sm63  1  0.495114  0.122397  0.574798  1
  Sm  Sm64  1  1.003744  0.480666  0.566585  1
  Sm  Sm65  1  0.986437  0.763513  0.583377  1
  Sm  Sm66  1  0.972872  0.043374  0.602820  1
  Sm  Sm67  1  0.235539  0.263943  0.585999  1
  Sm  Sm68  1  0.220028  0.546964  0.604624  1
  Sm  Sm69  1  0.252626  0.983539  0.567797  1
  Sm  Sm70  1  0.721701  0.539601  0.601461  1
  Sm  Sm71  1  0.755020  0.978618  0.565179  1
  Sm  Sm72  1  0.739752  0.259572  0.583155  1
  Sm  Sm73  1  0.429786  0.246665  0.648375  1
  Sm  Sm74  1  0.423942  0.526881  0.665462  1
  Sm  Sm75  1  0.450623  0.965103  0.629565  1
  Sm  Sm76  1  0.957624  0.321224  0.622317  1
  Sm  Sm77  1  0.940215  0.603770  0.638389  1
  Sm  Sm78  1  0.922431  0.882201  0.655253  1
  Sm  Sm79  1  0.189319  0.101100  0.641936  1
  Sm  Sm80  1  0.172529  0.386637  0.658303  1
  Sm  Sm81  1  0.204469  0.823058  0.623982  1
  Sm  Sm82  1  0.676848  0.381631  0.654964  1
  Sm  Sm83  1  0.704766  0.819522  0.619930  1
  Sm  Sm84  1  0.686252  0.101807  0.637270  1
  Sm  Sm85  1  0.388214  0.088746  0.702927  1
  Sm  Sm86  1  0.349053  0.380300  0.720288  1
  Sm  Sm87  1  0.400790  0.809695  0.684629  1
  Sm  Sm88  1  0.899762  0.159496  0.676958  1
  Sm  Sm89  1  0.895662  0.444985  0.696899  1
  Sm  Sm90  1  0.897035  0.729884  0.714207  1
  Sm  Sm91  1  0.129521  0.947276  0.699717  1
  Sm  Sm92  1  0.123740  0.232276  0.714231  1
  Sm  Sm93  1  0.159603  0.658255  0.682386  1
  Sm  Sm94  1  0.630214  0.231166  0.712113  1
  Sm  Sm95  1  0.665761  0.659408  0.675531  1
  Sm  Sm96  1  0.655402  0.942084  0.694689  1
