# generated using pymatgen
data_W48S95N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.14455100
_cell_length_b   22.10622300
_cell_length_c   14.20054100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   W48S95N
_chemical_formula_sum   'W48 S95 N1'
_cell_volume   6009.86369232
_cell_formula_units_Z   1
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
  W  W1  1  0.003662  0.751779  0.505479  1
  W  W2  1  0.083333  0.871340  0.505597  1
  W  W3  1  0.000138  0.499714  0.499692  1
  W  W4  1  0.083334  0.624577  0.501903  1
  W  W5  1  0.163005  0.751779  0.505480  1
  W  W6  1  0.250366  0.875166  0.501882  1
  W  W7  1  -0.000016  0.249784  0.499040  1
  W  W8  1  0.083334  0.374719  0.499212  1
  W  W9  1  0.166528  0.499714  0.499693  1
  W  W10  1  0.249476  0.624950  0.500582  1
  W  W11  1  0.333057  0.750397  0.500467  1
  W  W12  1  0.416764  0.875192  0.499489  1
  W  W13  1  -0.000275  -0.000397  0.500900  1
  W  W14  1  0.083333  0.124626  0.499565  1
  W  W15  1  0.166683  0.249783  0.499041  1
  W  W16  1  0.249995  0.374857  0.498791  1
  W  W17  1  0.333277  0.500036  0.498716  1
  W  W18  1  0.416380  0.625186  0.498806  1
  W  W19  1  0.499983  0.750058  0.498520  1
  W  W20  1  0.583333  0.875063  0.498618  1
  W  W21  1  0.166941  -0.000396  0.500900  1
  W  W22  1  0.250017  0.124904  0.499182  1
  W  W23  1  0.333340  0.249978  0.498543  1
  W  W24  1  0.416665  0.375111  0.498199  1
  W  W25  1  0.499933  0.500185  0.498169  1
  W  W26  1  0.583333  0.625190  0.498196  1
  W  W27  1  0.666683  0.750058  0.498520  1
  W  W28  1  0.749902  0.875192  0.499489  1
  W  W29  1  0.333618  -0.000005  0.499724  1
  W  W30  1  0.416740  0.125074  0.498757  1
  W  W31  1  0.499998  0.250125  0.498271  1
  W  W32  1  0.583333  0.375208  0.498037  1
  W  W33  1  0.666734  0.500185  0.498169  1
  W  W34  1  0.750287  0.625186  0.498807  1
  W  W35  1  0.833609  0.750398  0.500468  1
  W  W36  1  0.916301  0.875166  0.501882  1
  W  W37  1  0.500087  0.000089  0.498952  1
  W  W38  1  0.583333  0.125100  0.498593  1
  W  W39  1  0.666669  0.250126  0.498271  1
  W  W40  1  0.750002  0.375112  0.498199  1
  W  W41  1  0.833390  0.500037  0.498716  1
  W  W42  1  0.917191  0.624950  0.500581  1
  W  W43  1  0.666579  0.000089  0.498953  1
  W  W44  1  0.749926  0.125075  0.498757  1
  W  W45  1  0.833326  0.249979  0.498543  1
  W  W46  1  0.916673  0.374858  0.498791  1
  W  W47  1  0.833048  -0.000005  0.499724  1
  W  W48  1  0.916650  0.124904  0.499182  1
  S  S49  1  0.165450  0.914680  0.392741  1
  S  S50  1  0.083334  0.541880  0.389529  1
  S  S51  1  0.165210  0.668537  0.392599  1
  S  S52  1  0.247297  0.791794  0.392561  1
  S  S53  1  0.332960  0.916553  0.389430  1
  S  S54  1  0.083333  0.291436  0.388310  1
  S  S55  1  0.166476  0.416589  0.388389  1
  S  S56  1  0.249361  0.541957  0.388918  1
  S  S57  1  0.332272  0.667147  0.389376  1
  S  S58  1  0.416001  0.791933  0.388729  1
  S  S59  1  0.499842  0.916752  0.388113  1
  S  S60  1  0.083333  0.040688  0.389877  1
  S  S61  1  0.166535  0.166275  0.388434  1
  S  S62  1  0.249806  0.291514  0.387964  1
  S  S63  1  0.333044  0.416761  0.387729  1
  S  S64  1  0.416299  0.541936  0.387694  1
  S  S65  1  0.499649  0.666819  0.387627  1
  S  S66  1  0.583334  0.791778  0.387603  1
  S  S67  1  0.666823  0.916754  0.388115  1
  S  S68  1  0.249896  0.041101  0.389186  1
  S  S69  1  0.333207  0.166465  0.387989  1
  S  S70  1  0.416559  0.291684  0.387506  1
  S  S71  1  0.499908  0.416877  0.387306  1
  S  S72  1  0.583333  0.541891  0.387374  1
  S  S73  1  0.667018  0.666819  0.387628  1
  S  S74  1  0.750666  0.791934  0.388729  1
  S  S75  1  0.833706  0.916554  0.389430  1
  S  S76  1  0.416601  0.041565  0.388263  1
  S  S77  1  0.499974  0.166636  0.387723  1
  S  S78  1  0.583333  0.291781  0.387405  1
  S  S79  1  0.666759  0.416878  0.387306  1
  S  S80  1  0.750367  0.541936  0.387694  1
  S  S81  1  0.834394  0.667148  0.389377  1
  S  S82  1  0.919369  0.791793  0.392560  1
  S  S83  1  0.001217  0.914680  0.392741  1
  S  S84  1  0.583334  0.041649  0.387978  1
  S  S85  1  0.666693  0.166636  0.387722  1
  S  S86  1  0.750108  0.291684  0.387506  1
  S  S87  1  0.833623  0.416762  0.387729  1
  S  S88  1  0.917305  0.541957  0.388917  1
  S  S89  1  0.001457  0.668536  0.392598  1
  S  S90  1  0.750065  0.041566  0.388263  1
  S  S91  1  0.833459  0.166466  0.387990  1
  S  S92  1  0.916861  0.291515  0.387965  1
  S  S93  1  0.000191  0.416589  0.388388  1
  S  S94  1  0.916770  0.041102  0.389187  1
  S  S95  1  0.000132  0.166275  0.388434  1
  S  S96  1  0.083333  0.791599  0.626956  1
  S  S97  1  0.167187  0.917077  0.612545  1
  S  S98  1  0.083333  0.540539  0.611383  1
  S  S99  1  0.166936  0.666003  0.612422  1
  S  S100  1  0.250778  0.791743  0.612364  1
  S  S101  1  0.334435  0.917133  0.611336  1
  S  S102  1  0.083334  0.291353  0.609926  1
  S  S103  1  0.166811  0.416109  0.610065  1
  S  S104  1  0.250151  0.541071  0.610159  1
  S  S105  1  0.333571  0.666567  0.610276  1
  S  S106  1  0.417312  0.791808  0.609937  1
  S  S107  1  0.500445  0.916806  0.609822  1
  S  S108  1  0.083334  0.041708  0.610832  1
  S  S109  1  0.166784  0.166591  0.610050  1
  S  S110  1  0.250153  0.291535  0.609594  1
  S  S111  1  0.333505  0.416577  0.609295  1
  S  S112  1  0.416767  0.541649  0.609312  1
  S  S113  1  0.500122  0.666710  0.609206  1
  S  S114  1  0.583333  0.791658  0.609216  1
  S  S115  1  0.666221  0.916806  0.609822  1
  S  S116  1  0.250591  0.041945  0.610453  1
  S  S117  1  0.333515  0.166819  0.609582  1
  S  S118  1  0.416750  0.291818  0.609060  1
  S  S119  1  0.500035  0.416831  0.608893  1
  S  S120  1  0.583333  0.541815  0.608926  1
  S  S121  1  0.666545  0.666709  0.609207  1
  S  S122  1  0.749355  0.791808  0.609938  1
  S  S123  1  0.832232  0.917133  0.611336  1
  S  S124  1  0.417131  0.041996  0.609983  1
  S  S125  1  0.500095  0.166926  0.609315  1
  S  S126  1  0.583333  0.291923  0.608922  1
  S  S127  1  0.666632  0.416831  0.608894  1
  S  S128  1  0.749900  0.541649  0.609312  1
  S  S129  1  0.833096  0.666567  0.610276  1
  S  S130  1  0.915889  0.791743  0.612363  1
  S  S131  1  -0.000521  0.917076  0.612545  1
  S  S132  1  0.583333  0.041901  0.609682  1
  S  S133  1  0.666572  0.166927  0.609315  1
  S  S134  1  0.749917  0.291818  0.609060  1
  S  S135  1  0.833162  0.416577  0.609294  1
  S  S136  1  0.916516  0.541071  0.610158  1
  S  S137  1  -0.000269  0.666003  0.612422  1
  S  S138  1  0.749535  0.041996  0.609984  1
  S  S139  1  0.833152  0.166821  0.609583  1
  S  S140  1  0.916514  0.291535  0.609592  1
  S  S141  1  -0.000143  0.416110  0.610064  1
  S  S142  1  0.916076  0.041945  0.610453  1
  S  S143  1  -0.000118  0.166590  0.610050  1
  N  N144  1  0.083333  0.791648  0.438145  1
