# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.71870742
_cell_length_b   15.36219896
_cell_length_c   46.66821460
_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   Sm108
_cell_volume   8401.45069784
_cell_formula_units_Z   108
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  0.015610  0.604570  0.293779  1
  Sm  Sm2  1  0.064554  0.215462  0.276802  1
  Sm  Sm3  1  1.005114  0.994666  0.311376  1
  Sm  Sm4  1  0.499604  0.604570  0.293779  1
  Sm  Sm5  1  0.450659  0.215462  0.276802  1
  Sm  Sm6  1  0.510100  0.994666  0.311376  1
  Sm  Sm7  1  0.757607  0.445790  0.279785  1
  Sm  Sm8  1  0.757607  0.229284  0.309430  1
  Sm  Sm9  1  0.757607  0.837639  0.295514  1
  Sm  Sm10  1  0.257607  0.776542  0.301984  1
  Sm  Sm11  1  0.257607  0.403512  0.286243  1
  Sm  Sm12  1  0.257607  0.005762  0.269776  1
  Sm  Sm13  1  1.006569  0.785989  0.346191  1
  Sm  Sm14  1  0.008104  0.391892  0.329321  1
  Sm  Sm15  1  1.000265  0.188442  0.362201  1
  Sm  Sm16  1  0.508644  0.785989  0.346191  1
  Sm  Sm17  1  0.507110  0.391892  0.329321  1
  Sm  Sm18  1  0.514949  0.188442  0.362201  1
  Sm  Sm19  1  0.757607  0.633981  0.331000  1
  Sm  Sm20  1  0.757607  0.435474  0.362319  1
  Sm  Sm21  1  0.757607  0.034622  0.348491  1
  Sm  Sm22  1  0.257607  0.942741  0.357998  1
  Sm  Sm23  1  0.257607  0.555123  0.343225  1
  Sm  Sm24  1  0.257607  0.155951  0.330130  1
  Sm  Sm25  1  0.012194  0.989694  0.394739  1
  Sm  Sm26  1  1.004291  0.586884  0.380018  1
  Sm  Sm27  1  1.007332  0.387896  0.411505  1
  Sm  Sm28  1  0.503019  0.989694  0.394739  1
  Sm  Sm29  1  0.510922  0.586884  0.380018  1
  Sm  Sm30  1  0.507881  0.387896  0.411505  1
  Sm  Sm31  1  0.757607  0.839900  0.379370  1
  Sm  Sm32  1  0.757607  0.641142  0.412216  1
  Sm  Sm33  1  0.757607  0.241319  0.395229  1
  Sm  Sm34  1  0.257607  0.140920  0.410102  1
  Sm  Sm35  1  0.257607  0.741902  0.392894  1
  Sm  Sm36  1  0.257607  0.344295  0.375878  1
  Sm  Sm37  1  1.006748  0.188430  0.444529  1
  Sm  Sm38  1  1.007542  0.789273  0.428016  1
  Sm  Sm39  1  1.007332  0.588391  0.461184  1
  Sm  Sm40  1  0.508465  0.188430  0.444529  1
  Sm  Sm41  1  0.507672  0.789273  0.428016  1
  Sm  Sm42  1  0.507882  0.588391  0.461184  1
  Sm  Sm43  1  0.757607  0.039844  0.428768  1
  Sm  Sm44  1  0.757607  0.839013  0.462432  1
  Sm  Sm45  1  0.757607  0.440316  0.445588  1
  Sm  Sm46  1  0.257607  0.337883  0.459478  1
  Sm  Sm47  1  0.257607  0.938610  0.442983  1
  Sm  Sm48  1  0.257607  0.539391  0.426540  1
  Sm  Sm49  1  1.007607  0.387835  0.494081  1
  Sm  Sm50  1  1.007509  0.988165  0.477403  1
  Sm  Sm51  1  0.007704  0.787504  0.510760  1
  Sm  Sm52  1  0.507607  0.387835  0.494081  1
  Sm  Sm53  1  0.507704  0.988165  0.477403  1
  Sm  Sm54  1  0.507509  0.787504  0.510760  1
  Sm  Sm55  1  0.757607  0.238873  0.478564  1
  Sm  Sm56  1  0.757607  0.038144  0.512029  1
  Sm  Sm57  1  0.757607  0.638548  0.495319  1
  Sm  Sm58  1  0.257607  0.536796  0.509599  1
  Sm  Sm59  1  0.257607  0.137122  0.492844  1
  Sm  Sm60  1  0.257607  0.737525  0.476134  1
  Sm  Sm61  1  0.008465  0.587239  0.543634  1
  Sm  Sm62  1  0.007882  0.187279  0.526979  1
  Sm  Sm63  1  0.007672  0.986396  0.560146  1
  Sm  Sm64  1  0.506748  0.587239  0.543634  1
  Sm  Sm65  1  0.507332  0.187279  0.526979  1
  Sm  Sm66  1  0.507542  0.986396  0.560146  1
  Sm  Sm67  1  0.757607  0.437786  0.528685  1
  Sm  Sm68  1  0.757607  0.236278  0.561623  1
  Sm  Sm69  1  0.757607  0.837059  0.545179  1
  Sm  Sm70  1  0.257607  0.735825  0.559395  1
  Sm  Sm71  1  0.257607  0.335354  0.542574  1
  Sm  Sm72  1  0.257607  0.936656  0.525730  1
  Sm  Sm73  1  1.003019  0.785975  0.593423  1
  Sm  Sm74  1  0.007881  0.387773  0.576658  1
  Sm  Sm75  1  0.010922  0.188785  0.608144  1
  Sm  Sm76  1  0.512194  0.785975  0.593423  1
  Sm  Sm77  1  0.507332  0.387773  0.576658  1
  Sm  Sm78  1  0.504291  0.188785  0.608144  1
  Sm  Sm79  1  0.757607  0.634749  0.578061  1
  Sm  Sm80  1  0.757607  0.431374  0.612284  1
  Sm  Sm81  1  0.757607  0.033768  0.595268  1
  Sm  Sm82  1  0.257607  0.935770  0.608793  1
  Sm  Sm83  1  0.257607  0.534350  0.592934  1
  Sm  Sm84  1  0.257607  0.134527  0.575947  1
  Sm  Sm85  1  0.008644  0.989680  0.641971  1
  Sm  Sm86  1  0.014949  0.587227  0.625962  1
  Sm  Sm87  1  1.007110  0.383778  0.658841  1
  Sm  Sm88  1  0.506569  0.989680  0.641971  1
  Sm  Sm89  1  0.500265  0.587227  0.625962  1
  Sm  Sm90  1  0.508104  0.383778  0.658841  1
  Sm  Sm91  1  0.757607  0.832928  0.630165  1
  Sm  Sm92  1  0.757607  0.619718  0.658033  1
  Sm  Sm93  1  0.757607  0.220546  0.644938  1
  Sm  Sm94  1  0.257607  0.141688  0.657163  1
  Sm  Sm95  1  0.257607  0.741048  0.639671  1
  Sm  Sm96  1  0.257607  0.340195  0.625844  1
  Sm  Sm97  1  0.999604  0.171099  0.694383  1
  Sm  Sm98  1  0.010100  0.781003  0.676786  1
  Sm  Sm99  1  0.950659  0.560207  0.711360  1
  Sm  Sm100  1  0.515610  0.171099  0.694383  1
  Sm  Sm101  1  0.505114  0.781003  0.676786  1
  Sm  Sm102  1  0.564554  0.560207  0.711360  1
  Sm  Sm103  1  0.757607  0.999127  0.686178  1
  Sm  Sm104  1  0.757607  0.769907  0.718387  1
  Sm  Sm105  1  0.757607  0.372157  0.701919  1
  Sm  Sm106  1  0.257607  0.329879  0.708377  1
  Sm  Sm107  1  0.257607  0.938030  0.692648  1
  Sm  Sm108  1  0.257607  0.546385  0.678733  1
