# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.78447130
_cell_length_b   9.69743635
_cell_length_c   49.00933052
_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   Sm72
_cell_volume   5600.74514381
_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  0.996001  0.529478  0.318670  1
  Sm  Sm2  1  0.017946  0.132295  0.296454  1
  Sm  Sm3  1  0.513547  0.529478  0.318670  1
  Sm  Sm4  1  0.491602  0.132295  0.296454  1
  Sm  Sm5  1  0.754774  0.273253  0.321106  1
  Sm  Sm6  1  0.754774  0.888356  0.297420  1
  Sm  Sm7  1  0.254774  0.785210  0.312259  1
  Sm  Sm8  1  0.254774  0.389987  0.295631  1
  Sm  Sm9  1  0.007951  0.272918  0.369811  1
  Sm  Sm10  1  1.002955  0.886757  0.347972  1
  Sm  Sm11  1  0.501597  0.272918  0.369811  1
  Sm  Sm12  1  0.506593  0.886757  0.347972  1
  Sm  Sm13  1  0.754774  0.024875  0.371438  1
  Sm  Sm14  1  0.754774  0.641728  0.350146  1
  Sm  Sm15  1  0.254774  0.525548  0.367378  1
  Sm  Sm16  1  0.254774  0.135804  0.345890  1
  Sm  Sm17  1  0.005979  0.016253  0.420322  1
  Sm  Sm18  1  1.003722  0.635358  0.397444  1
  Sm  Sm19  1  0.503569  0.016253  0.420322  1
  Sm  Sm20  1  0.505826  0.635358  0.397444  1
  Sm  Sm21  1  0.754774  0.770817  0.421650  1
  Sm  Sm22  1  0.754774  0.388184  0.397105  1
  Sm  Sm23  1  0.254774  0.264667  0.419230  1
  Sm  Sm24  1  0.254774  0.884857  0.394763  1
  Sm  Sm25  1  1.004371  0.762150  0.470731  1
  Sm  Sm26  1  1.004487  0.385482  0.446270  1
  Sm  Sm27  1  0.505177  0.762150  0.470731  1
  Sm  Sm28  1  0.505061  0.385482  0.446270  1
  Sm  Sm29  1  0.754774  0.515628  0.471465  1
  Sm  Sm30  1  0.754774  0.139595  0.447136  1
  Sm  Sm31  1  0.254774  0.008802  0.469433  1
  Sm  Sm32  1  0.254774  0.634448  0.444676  1
  Sm  Sm33  1  1.004100  0.509770  0.520622  1
  Sm  Sm34  1  0.005448  0.135035  0.495698  1
  Sm  Sm35  1  0.505448  0.509770  0.520622  1
  Sm  Sm36  1  0.504100  0.135035  0.495698  1
  Sm  Sm37  1  0.754774  0.262498  0.521542  1
  Sm  Sm38  1  0.754774  0.888782  0.497047  1
  Sm  Sm39  1  0.254774  0.756022  0.519273  1
  Sm  Sm40  1  0.254774  0.382306  0.494778  1
  Sm  Sm41  1  0.005061  0.259323  0.570050  1
  Sm  Sm42  1  0.005177  0.882654  0.545589  1
  Sm  Sm43  1  0.504487  0.259323  0.570050  1
  Sm  Sm44  1  0.504371  0.882654  0.545589  1
  Sm  Sm45  1  0.754774  0.010356  0.571644  1
  Sm  Sm46  1  0.754774  0.636003  0.546887  1
  Sm  Sm47  1  0.254774  0.505210  0.569184  1
  Sm  Sm48  1  0.254774  0.129176  0.544855  1
  Sm  Sm49  1  0.005826  0.009446  0.618877  1
  Sm  Sm50  1  1.003569  0.628552  0.595998  1
  Sm  Sm51  1  0.503722  0.009446  0.618877  1
  Sm  Sm52  1  0.505979  0.628552  0.595998  1
  Sm  Sm53  1  0.754774  0.759947  0.621557  1
  Sm  Sm54  1  0.754774  0.380137  0.597091  1
  Sm  Sm55  1  0.254774  0.256620  0.619216  1
  Sm  Sm56  1  0.254774  0.873988  0.594670  1
  Sm  Sm57  1  0.006593  0.758048  0.668348  1
  Sm  Sm58  1  1.001597  0.371887  0.646509  1
  Sm  Sm59  1  0.502955  0.758048  0.668348  1
  Sm  Sm60  1  0.507951  0.371887  0.646509  1
  Sm  Sm61  1  0.754774  0.509000  0.670430  1
  Sm  Sm62  1  0.754774  0.119257  0.648942  1
  Sm  Sm63  1  0.254774  0.003076  0.666175  1
  Sm  Sm64  1  0.254774  0.619929  0.644883  1
  Sm  Sm65  1  0.991602  0.512510  0.719866  1
  Sm  Sm66  1  0.013547  0.115327  0.697651  1
  Sm  Sm67  1  0.517946  0.512510  0.719866  1
  Sm  Sm68  1  0.496001  0.115327  0.697651  1
  Sm  Sm69  1  0.754774  0.254817  0.720689  1
  Sm  Sm70  1  0.754774  0.859595  0.704061  1
  Sm  Sm71  1  0.254774  0.756448  0.718900  1
  Sm  Sm72  1  0.254774  0.371552  0.695215  1
