# generated using pymatgen
data_W47S96N
_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   W47S96N
_chemical_formula_sum   'W47 S96 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  0.090356  0.877818  0.499991  1
  W  W2  1  0.000124  0.497601  0.499994  1
  W  W3  1  0.083286  0.622865  0.499995  1
  W  W4  1  0.168069  0.748355  0.499995  1
  W  W5  1  0.250609  0.876226  0.499996  1
  W  W6  1  0.000071  0.249011  0.499987  1
  W  W7  1  0.083508  0.373636  0.499990  1
  W  W8  1  0.167115  0.498098  0.499995  1
  W  W9  1  0.249606  0.624604  0.499999  1
  W  W10  1  0.333215  0.750403  0.500000  1
  W  W11  1  0.416880  0.875087  0.499999  1
  W  W12  1  0.000586  0.999674  0.499990  1
  W  W13  1  0.083711  0.124614  0.499991  1
  W  W14  1  0.166873  0.249392  0.499992  1
  W  W15  1  0.250208  0.374207  0.499993  1
  W  W16  1  0.333562  0.499589  0.500000  1
  W  W17  1  0.416603  0.624762  0.500006  1
  W  W18  1  0.499073  0.749952  0.500006  1
  W  W19  1  0.582527  0.875327  0.499997  1
  W  W20  1  0.167922  0.000745  0.499993  1
  W  W21  1  0.250568  0.125374  0.499993  1
  W  W22  1  0.333661  0.249925  0.499991  1
  W  W23  1  0.416906  0.374798  0.499992  1
  W  W24  1  0.500216  0.499795  0.500000  1
  W  W25  1  0.583619  0.624747  0.500005  1
  W  W26  1  0.664036  0.749830  0.499998  1
  W  W27  1  0.747949  0.875928  0.499993  1
  W  W28  1  0.334026  0.000494  0.499996  1
  W  W29  1  0.416943  0.125230  0.499990  1
  W  W30  1  0.500154  0.250023  0.499989  1
  W  W31  1  0.583583  0.374824  0.499994  1
  W  W32  1  0.667163  0.499751  0.500000  1
  W  W33  1  0.751097  0.624970  0.500000  1
  W  W34  1  0.830903  0.752535  0.499996  1
  W  W35  1  0.914178  0.872129  0.499993  1
  W  W36  1  0.499901  0.000338  0.499995  1
  W  W37  1  0.583282  0.125118  0.499992  1
  W  W38  1  0.666671  0.249644  0.499994  1
  W  W39  1  0.750072  0.374096  0.499995  1
  W  W40  1  0.833202  0.498356  0.499997  1
  W  W41  1  0.920262  0.622271  0.499997  1
  W  W42  1  0.666014  0.000250  0.499995  1
  W  W43  1  0.749827  0.124766  0.499993  1
  W  W44  1  0.833374  0.249125  0.499991  1
  W  W45  1  0.916795  0.373567  0.499990  1
  W  W46  1  0.832893  0.000386  0.499992  1
  W  W47  1  0.916854  0.124225  0.499989  1
  S  S48  1  0.076327  0.788593  0.402831  1
  S  S49  1  0.169628  0.918537  0.386701  1
  S  S50  1  0.083812  0.539168  0.389414  1
  S  S51  1  0.165922  0.665392  0.389079  1
  S  S52  1  0.249778  0.792286  0.389217  1
  S  S53  1  0.334192  0.917131  0.389203  1
  S  S54  1  0.083382  0.290585  0.389154  1
  S  S55  1  0.166865  0.415249  0.389003  1
  S  S56  1  0.250110  0.541009  0.389491  1
  S  S57  1  0.333149  0.666692  0.389615  1
  S  S58  1  0.416235  0.791707  0.389075  1
  S  S59  1  0.499751  0.917028  0.389115  1
  S  S60  1  0.083744  0.041439  0.389264  1
  S  S61  1  0.166916  0.166366  0.389107  1
  S  S62  1  0.250190  0.291129  0.389160  1
  S  S63  1  0.333490  0.416278  0.389309  1
  S  S64  1  0.416795  0.541424  0.389302  1
  S  S65  1  0.499962  0.666348  0.389392  1
  S  S66  1  0.581654  0.791858  0.389054  1
  S  S67  1  0.665460  0.917252  0.388768  1
  S  S68  1  0.251006  0.042441  0.389099  1
  S  S69  1  0.333776  0.166878  0.389106  1
  S  S70  1  0.416895  0.291632  0.389177  1
  S  S71  1  0.500242  0.416503  0.389281  1
  S  S72  1  0.583691  0.541387  0.389384  1
  S  S73  1  0.667131  0.666301  0.389374  1
  S  S74  1  0.745881  0.792412  0.389835  1
  S  S75  1  0.832395  0.917149  0.390111  1
  S  S76  1  0.416994  0.042073  0.389036  1
  S  S77  1  0.500142  0.166835  0.389158  1
  S  S78  1  0.583491  0.291565  0.389236  1
  S  S79  1  0.666993  0.416369  0.389306  1
  S  S80  1  0.750658  0.541507  0.389406  1
  S  S81  1  0.835905  0.667251  0.391358  1
  S  S82  1  0.905569  0.794094  0.384471  1
  S  S83  1  0.000512  0.915571  0.390071  1
  S  S84  1  0.583060  0.041960  0.389112  1
  S  S85  1  0.666649  0.166498  0.389145  1
  S  S86  1  0.750070  0.290915  0.389194  1
  S  S87  1  0.833398  0.415279  0.389167  1
  S  S88  1  0.916765  0.538929  0.389168  1
  S  S89  1  0.000425  0.662818  0.390941  1
  S  S90  1  0.749582  0.041650  0.389166  1
  S  S91  1  0.833457  0.165914  0.389240  1
  S  S92  1  0.916712  0.290484  0.389135  1
  S  S93  1  0.000149  0.414847  0.388933  1
  S  S94  1  0.917110  0.040914  0.389241  1
  S  S95  1  0.000139  0.165852  0.389223  1
  S  S96  1  0.076326  0.788594  0.597169  1
  S  S97  1  0.169626  0.918539  0.613301  1
  S  S98  1  0.083809  0.539167  0.610584  1
  S  S99  1  0.165919  0.665393  0.610926  1
  S  S100  1  0.249776  0.792287  0.610786  1
  S  S101  1  0.334190  0.917132  0.610803  1
  S  S102  1  0.083381  0.290585  0.610848  1
  S  S103  1  0.166863  0.415249  0.611002  1
  S  S104  1  0.250105  0.541008  0.610519  1
  S  S105  1  0.333146  0.666694  0.610398  1
  S  S106  1  0.416234  0.791708  0.610935  1
  S  S107  1  0.499751  0.917029  0.610893  1
  S  S108  1  0.083743  0.041441  0.610735  1
  S  S109  1  0.166915  0.166365  0.610893  1
  S  S110  1  0.250189  0.291127  0.610845  1
  S  S111  1  0.333487  0.416276  0.610705  1
  S  S112  1  0.416794  0.541423  0.610718  1
  S  S113  1  0.499963  0.666349  0.610626  1
  S  S114  1  0.581655  0.791861  0.610956  1
  S  S115  1  0.665461  0.917254  0.611239  1
  S  S116  1  0.251004  0.042441  0.610903  1
  S  S117  1  0.333776  0.166877  0.610896  1
  S  S118  1  0.416894  0.291629  0.610832  1
  S  S119  1  0.500242  0.416500  0.610736  1
  S  S120  1  0.583693  0.541386  0.610634  1
  S  S121  1  0.667133  0.666302  0.610640  1
  S  S122  1  0.745882  0.792413  0.610174  1
  S  S123  1  0.832396  0.917151  0.609893  1
  S  S124  1  0.416994  0.042074  0.610966  1
  S  S125  1  0.500143  0.166833  0.610845  1
  S  S126  1  0.583492  0.291562  0.610773  1
  S  S127  1  0.666995  0.416367  0.610706  1
  S  S128  1  0.750662  0.541506  0.610602  1
  S  S129  1  0.835908  0.667251  0.608648  1
  S  S130  1  0.905571  0.794095  0.615533  1
  S  S131  1  0.000513  0.915572  0.609929  1
  S  S132  1  0.583060  0.041961  0.610891  1
  S  S133  1  0.666650  0.166497  0.610855  1
  S  S134  1  0.750072  0.290913  0.610808  1
  S  S135  1  0.833402  0.415279  0.610832  1
  S  S136  1  0.916767  0.538927  0.610829  1
  S  S137  1  0.000425  0.662819  0.609059  1
  S  S138  1  0.749582  0.041652  0.610834  1
  S  S139  1  0.833457  0.165914  0.610758  1
  S  S140  1  0.916712  0.290484  0.610859  1
  S  S141  1  0.000147  0.414848  0.611063  1
  S  S142  1  0.917111  0.040915  0.610759  1
  S  S143  1  0.000139  0.165852  0.610776  1
  N  N144  1  0.019636  0.802569  0.499997  1
