# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88121602
_cell_length_b   12.61816153
_cell_length_c   51.83312392
_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   Sm42
_cell_volume   3192.50432874
_cell_formula_units_Z   42
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  -0.003705  0.411927  0.293655  1
  Sm  Sm2  1  -0.003705  0.162884  0.249480  1
  Sm  Sm3  1  -0.003705  0.790927  0.271357  1
  Sm  Sm4  1  0.496295  0.602025  0.282390  1
  Sm  Sm5  1  0.496295  0.363554  0.238974  1
  Sm  Sm6  1  0.496295  0.977799  0.260659  1
  Sm  Sm7  1  -0.003705  0.278819  0.360260  1
  Sm  Sm8  1  -0.003705  1.034288  0.316237  1
  Sm  Sm9  1  -0.003705  0.655456  0.337913  1
  Sm  Sm10  1  0.496295  0.467505  0.349609  1
  Sm  Sm11  1  0.496295  0.223031  0.304852  1
  Sm  Sm12  1  0.496295  0.845466  0.327437  1
  Sm  Sm13  1  -0.003705  0.144164  0.427149  1
  Sm  Sm14  1  -0.003705  0.899842  0.382777  1
  Sm  Sm15  1  -0.003705  0.522353  0.404976  1
  Sm  Sm16  1  0.496295  0.333161  0.416051  1
  Sm  Sm17  1  0.496295  0.089491  0.371673  1
  Sm  Sm18  1  0.496295  0.711079  0.393851  1
  Sm  Sm19  1  -0.003705  1.009975  0.493853  1
  Sm  Sm20  1  -0.003705  0.766058  0.449396  1
  Sm  Sm21  1  -0.003705  0.388085  0.471569  1
  Sm  Sm22  1  0.496295  0.199156  0.482800  1
  Sm  Sm23  1  0.496295  0.955238  0.438342  1
  Sm  Sm24  1  0.496295  0.577129  0.460626  1
  Sm  Sm25  1  -0.003705  0.875723  0.560523  1
  Sm  Sm26  1  -0.003705  0.632053  0.516144  1
  Sm  Sm27  1  -0.003705  0.254135  0.538345  1
  Sm  Sm28  1  0.496295  0.065372  0.549419  1
  Sm  Sm29  1  0.496295  0.821050  0.505046  1
  Sm  Sm30  1  0.496295  0.442861  0.527219  1
  Sm  Sm31  1  -0.003705  0.742183  0.627344  1
  Sm  Sm32  1  -0.003705  0.497709  0.582587  1
  Sm  Sm33  1  -0.003705  0.119748  0.604758  1
  Sm  Sm34  1  0.496295  0.930926  0.615959  1
  Sm  Sm35  1  0.496295  0.686395  0.571936  1
  Sm  Sm36  1  0.496295  0.309758  0.594282  1
  Sm  Sm37  1  -0.003705  0.601660  0.693222  1
  Sm  Sm38  1  -0.003705  0.363189  0.649806  1
  Sm  Sm39  1  -0.003705  0.987415  0.671537  1
  Sm  Sm40  1  0.496295  0.802330  0.682715  1
  Sm  Sm41  1  0.496295  0.553287  0.638541  1
  Sm  Sm42  1  0.496295  0.174287  0.660838  1
