# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.84704056
_cell_length_b   12.41002963
_cell_length_c   48.39109600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   69.74077580
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm96
_cell_volume   7801.1900539
_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  0.286233  0.667452  0.291843  1
  Sm  Sm2  1  0.556778  0.582052  0.326468  1
  Sm  Sm3  1  0.955676  0.656530  0.300304  1
  Sm  Sm4  1  0.286233  0.167452  0.291843  1
  Sm  Sm5  1  0.556778  0.082052  0.326468  1
  Sm  Sm6  1  0.955676  0.156530  0.300304  1
  Sm  Sm7  1  0.069914  0.852063  0.323450  1
  Sm  Sm8  1  0.412923  0.872875  0.312931  1
  Sm  Sm9  1  0.802008  0.966088  0.284906  1
  Sm  Sm10  1  0.069914  0.352063  0.323450  1
  Sm  Sm11  1  0.412923  0.372875  0.312931  1
  Sm  Sm12  1  0.802008  0.466088  0.284906  1
  Sm  Sm13  1  0.182271  0.531804  0.348165  1
  Sm  Sm14  1  0.451056  0.432788  0.381865  1
  Sm  Sm15  1  0.834579  0.503048  0.356527  1
  Sm  Sm16  1  0.182271  0.031804  0.348165  1
  Sm  Sm17  1  0.451056  0.932788  0.381865  1
  Sm  Sm18  1  0.834579  0.003048  0.356527  1
  Sm  Sm19  1  0.956557  0.696461  0.377543  1
  Sm  Sm20  1  0.310243  0.723001  0.367914  1
  Sm  Sm21  1  0.697620  0.790141  0.334891  1
  Sm  Sm22  1  0.956557  0.196461  0.377543  1
  Sm  Sm23  1  0.310243  0.223001  0.367914  1
  Sm  Sm24  1  0.697620  0.290141  0.334891  1
  Sm  Sm25  1  0.071811  0.380496  0.402123  1
  Sm  Sm26  1  0.337017  0.286027  0.437937  1
  Sm  Sm27  1  0.722036  0.357497  0.409309  1
  Sm  Sm28  1  0.071811  0.880496  0.402123  1
  Sm  Sm29  1  0.337017  0.786027  0.437937  1
  Sm  Sm30  1  0.722036  0.857497  0.409309  1
  Sm  Sm31  1  0.846032  0.548322  0.432487  1
  Sm  Sm32  1  0.199557  0.574907  0.422772  1
  Sm  Sm33  1  0.585174  0.653372  0.394101  1
  Sm  Sm34  1  0.846032  0.048322  0.432487  1
  Sm  Sm35  1  0.199557  0.074907  0.422772  1
  Sm  Sm36  1  0.585174  0.153372  0.394101  1
  Sm  Sm37  1  0.960634  0.234623  0.456254  1
  Sm  Sm38  1  0.225201  0.135983  0.492777  1
  Sm  Sm39  1  0.611323  0.211600  0.465112  1
  Sm  Sm40  1  0.960634  0.734623  0.456254  1
  Sm  Sm41  1  0.225201  0.635983  0.492777  1
  Sm  Sm42  1  0.611323  0.711600  0.465112  1
  Sm  Sm43  1  0.736660  0.402577  0.486945  1
  Sm  Sm44  1  0.087526  0.427296  0.477939  1
  Sm  Sm45  1  0.475048  0.503185  0.449053  1
  Sm  Sm46  1  0.736660  0.902577  0.486945  1
  Sm  Sm47  1  0.087526  0.927296  0.477939  1
  Sm  Sm48  1  0.475048  0.003185  0.449053  1
  Sm  Sm49  1  0.851192  0.088118  0.510855  1
  Sm  Sm50  1  0.112804  0.987510  0.548746  1
  Sm  Sm51  1  0.500326  0.063399  0.519861  1
  Sm  Sm52  1  0.851192  0.588118  0.510855  1
  Sm  Sm53  1  0.112804  0.487510  0.548746  1
  Sm  Sm54  1  0.500326  0.563399  0.519861  1
  Sm  Sm55  1  0.627218  0.256072  0.541546  1
  Sm  Sm56  1  0.976529  0.279095  0.532688  1
  Sm  Sm57  1  0.362651  0.354712  0.505023  1
  Sm  Sm58  1  0.627218  0.756072  0.541546  1
  Sm  Sm59  1  0.976529  0.779095  0.532688  1
  Sm  Sm60  1  0.362651  0.854712  0.505023  1
  Sm  Sm61  1  0.741820  0.942373  0.565312  1
  Sm  Sm62  1  1.002678  0.837323  0.603698  1
  Sm  Sm63  1  0.388295  0.915788  0.575027  1
  Sm  Sm64  1  0.741820  0.442373  0.565312  1
  Sm  Sm65  1  1.002678  0.337323  0.603698  1
  Sm  Sm66  1  0.388295  0.415788  0.575027  1
  Sm  Sm67  1  0.516041  0.110199  0.595676  1
  Sm  Sm68  1  0.865816  0.133198  0.588491  1
  Sm  Sm69  1  0.250835  0.204668  0.559862  1
  Sm  Sm70  1  0.516041  0.610199  0.595676  1
  Sm  Sm71  1  0.865816  0.633198  0.588491  1
  Sm  Sm72  1  0.250835  0.704668  0.559862  1
  Sm  Sm73  1  0.631295  0.794234  0.620257  1
  Sm  Sm74  1  0.890232  0.700554  0.662909  1
  Sm  Sm75  1  0.277609  0.767695  0.629886  1
  Sm  Sm76  1  0.631295  0.294234  0.620257  1
  Sm  Sm77  1  0.890232  0.200554  0.662909  1
  Sm  Sm78  1  0.277609  0.267695  0.629886  1
  Sm  Sm79  1  0.405581  0.958892  0.649635  1
  Sm  Sm80  1  0.753273  0.987647  0.641273  1
  Sm  Sm81  1  0.136796  0.057907  0.615935  1
  Sm  Sm82  1  0.405581  0.458892  0.649635  1
  Sm  Sm83  1  0.753273  0.487647  0.641273  1
  Sm  Sm84  1  0.136796  0.557907  0.615935  1
  Sm  Sm85  1  0.517938  0.638632  0.674350  1
  Sm  Sm86  1  0.785844  0.524607  0.712894  1
  Sm  Sm87  1  0.174929  0.617821  0.684868  1
  Sm  Sm88  1  0.517938  0.138632  0.674350  1
  Sm  Sm89  1  0.785844  0.024607  0.712894  1
  Sm  Sm90  1  0.174929  0.117821  0.684868  1
  Sm  Sm91  1  0.301619  0.823243  0.705957  1
  Sm  Sm92  1  0.632176  0.834165  0.697496  1
  Sm  Sm93  1  0.031074  0.908643  0.671332  1
  Sm  Sm94  1  0.301619  0.323243  0.705957  1
  Sm  Sm95  1  0.632176  0.334165  0.697496  1
  Sm  Sm96  1  0.031074  0.408643  0.671332  1
