# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.99407542
_cell_length_b   16.75463454
_cell_length_c   48.43393798
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.41750217
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm96
_cell_volume   7648.82714785
_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  0.968821  0.339635  0.273439  1
  Sm  Sm2  1  0.434858  0.357025  0.275744  1
  Sm  Sm3  1  0.083526  0.636707  0.313603  1
  Sm  Sm4  1  0.510547  -0.001316  0.294684  1
  Sm  Sm5  1  0.875879  0.702477  0.257529  1
  Sm  Sm6  1  1.034245  0.975391  0.290697  1
  Sm  Sm7  1  0.781981  0.481744  0.291327  1
  Sm  Sm8  1  0.262808  0.501433  0.294579  1
  Sm  Sm9  1  0.228276  0.833048  0.273332  1
  Sm  Sm10  1  0.607258  0.205010  0.257247  1
  Sm  Sm11  1  0.675125  0.846893  0.275026  1
  Sm  Sm12  1  0.144457  0.183007  0.255195  1
  Sm  Sm13  1  0.670456  0.274264  0.330155  1
  Sm  Sm14  1  0.159522  0.281561  0.331447  1
  Sm  Sm15  1  0.807540  0.563543  0.368585  1
  Sm  Sm16  1  0.236185  0.920706  0.349392  1
  Sm  Sm17  1  0.600383  0.629328  0.311628  1
  Sm  Sm18  1  0.738971  0.921830  0.348769  1
  Sm  Sm19  1  0.489817  0.419803  0.349318  1
  Sm  Sm20  1  0.983476  0.422337  0.349880  1
  Sm  Sm21  1  0.912447  0.779499  0.331126  1
  Sm  Sm22  1  0.335666  0.139720  0.314108  1
  Sm  Sm23  1  0.417508  0.774357  0.331840  1
  Sm  Sm24  1  0.850311  0.126929  0.309565  1
  Sm  Sm25  1  0.381468  0.207548  0.386892  1
  Sm  Sm26  1  0.879487  0.208038  0.386481  1
  Sm  Sm27  1  0.523129  0.495873  0.424750  1
  Sm  Sm28  1  0.950466  0.853655  0.406172  1
  Sm  Sm29  1  0.309236  0.565165  0.368768  1
  Sm  Sm30  1  0.454882  0.850617  0.405522  1
  Sm  Sm31  1  0.203082  0.351778  0.405666  1
  Sm  Sm32  1  0.701605  0.352018  0.405859  1
  Sm  Sm33  1  0.634868  0.707236  0.387243  1
  Sm  Sm34  1  0.055640  0.064212  0.367942  1
  Sm  Sm35  1  0.126663  0.709561  0.387490  1
  Sm  Sm36  1  0.561704  0.063554  0.368564  1
  Sm  Sm37  1  0.096798  0.138413  0.442830  1
  Sm  Sm38  1  0.595258  0.139667  0.443247  1
  Sm  Sm39  1  0.239035  0.427057  0.480928  1
  Sm  Sm40  1  0.667978  0.783008  0.462111  1
  Sm  Sm41  1  1.025454  0.495675  0.424643  1
  Sm  Sm42  1  0.168164  0.783236  0.462051  1
  Sm  Sm43  1  0.918687  0.282303  0.461548  1
  Sm  Sm44  1  0.417171  0.283217  0.461943  1
  Sm  Sm45  1  0.345693  0.639657  0.443455  1
  Sm  Sm46  1  0.773051  -0.003764  0.424653  1
  Sm  Sm47  1  0.846699  0.639044  0.443561  1
  Sm  Sm48  1  0.275530  -0.005311  0.424185  1
  Sm  Sm49  1  0.811035  0.069983  0.499335  1
  Sm  Sm50  1  0.311864  0.070193  0.499223  1
  Sm  Sm51  1  0.955653  0.357288  0.536633  1
  Sm  Sm52  1  0.384727  0.713590  0.518194  1
  Sm  Sm53  1  0.740892  0.426142  0.480550  1
  Sm  Sm54  1  0.882817  0.715178  0.518710  1
  Sm  Sm55  1  0.633742  0.213682  0.518016  1
  Sm  Sm56  1  0.133059  0.213513  0.517730  1
  Sm  Sm57  1  0.061089  0.571048  0.499812  1
  Sm  Sm58  1  0.489554  0.926535  0.480732  1
  Sm  Sm59  1  0.562908  0.570011  0.499424  1
  Sm  Sm60  1  0.989877  0.926559  0.480859  1
  Sm  Sm61  1  0.523545  0.002495  0.555910  1
  Sm  Sm62  1  1.029496  -0.000549  0.555386  1
  Sm  Sm63  1  0.669667  0.288896  0.592628  1
  Sm  Sm64  1  0.101339  0.645811  0.574623  1
  Sm  Sm65  1  0.455756  0.357830  0.536638  1
  Sm  Sm66  1  0.598135  0.645463  0.574176  1
  Sm  Sm67  1  0.345131  0.145975  0.574105  1
  Sm  Sm68  1  0.852231  0.143913  0.573837  1
  Sm  Sm69  1  0.777394  0.501034  0.555612  1
  Sm  Sm70  1  0.207274  0.856527  0.536945  1
  Sm  Sm71  1  0.278348  0.501969  0.555960  1
  Sm  Sm72  1  0.702934  0.858848  0.537344  1
  Sm  Sm73  1  0.240174  0.932373  0.612419  1
  Sm  Sm74  1  0.742935  0.934068  0.611853  1
  Sm  Sm75  1  0.382865  0.223183  0.649777  1
  Sm  Sm76  1  0.821636  0.568343  0.628520  1
  Sm  Sm77  1  0.173311  0.288087  0.592558  1
  Sm  Sm78  1  0.310629  0.581471  0.632534  1
  Sm  Sm79  1  0.066109  0.075515  0.630700  1
  Sm  Sm80  1  0.560924  0.078092  0.629575  1
  Sm  Sm81  1  0.487912  0.433986  0.612281  1
  Sm  Sm82  1  0.921202  0.789136  0.593888  1
  Sm  Sm83  1  1.000009  0.429099  0.611136  1
  Sm  Sm84  1  0.419472  0.788502  0.593860  1
  Sm  Sm85  1  0.938332  0.881013  0.671640  1
  Sm  Sm86  1  0.471652  0.851677  0.667061  1
  Sm  Sm87  1  0.102620  0.150261  0.703975  1
  Sm  Sm88  1  0.550810  0.505208  0.685617  1
  Sm  Sm89  1  0.891412  0.217144  0.647682  1
  Sm  Sm90  1  1.017690  0.517004  0.686636  1
  Sm  Sm91  1  0.746440  0.024490  0.688620  1
  Sm  Sm92  1  0.302440  0.005487  0.686029  1
  Sm  Sm93  1  0.198958  0.365223  0.668778  1
  Sm  Sm94  1  0.651807  0.711453  0.648468  1
  Sm  Sm95  1  0.715643  0.353743  0.667003  1
  Sm  Sm96  1  0.120940  0.729992  0.651771  1
