# 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  0.085878  0.877802  0.500000  1
  W  W2  1  -0.000622  0.498500  0.500000  1
  W  W3  1  0.080154  0.618763  0.500000  1
  W  W4  1  0.163972  0.754996  0.500000  1
  W  W5  1  0.251368  0.876791  0.500000  1
  W  W6  1  -0.000195  0.248992  0.500000  1
  W  W7  1  0.082922  0.373933  0.500000  1
  W  W8  1  0.166006  0.498917  0.500000  1
  W  W9  1  0.248130  0.625780  0.500000  1
  W  W10  1  0.333563  0.750878  0.500000  1
  W  W11  1  0.416935  0.876135  0.500000  1
  W  W12  1  -0.000132  -0.000647  0.500000  1
  W  W13  1  0.083316  0.124561  0.500000  1
  W  W14  1  0.166588  0.249638  0.500000  1
  W  W15  1  0.249859  0.374761  0.500000  1
  W  W16  1  0.332316  0.500619  0.500000  1
  W  W17  1  0.415274  0.625811  0.500000  1
  W  W18  1  0.499437  0.750892  0.500000  1
  W  W19  1  0.582832  0.875752  0.500000  1
  W  W20  1  0.168283  0.001174  0.500000  1
  W  W21  1  0.250688  0.125584  0.500000  1
  W  W22  1  0.333374  0.250194  0.500000  1
  W  W23  1  0.416358  0.375749  0.500000  1
  W  W24  1  0.499409  0.500527  0.500000  1
  W  W25  1  0.582457  0.625564  0.500000  1
  W  W26  1  0.665506  0.750711  0.500000  1
  W  W27  1  0.748908  0.875437  0.500000  1
  W  W28  1  0.334111  0.001020  0.500000  1
  W  W29  1  0.416984  0.125809  0.500000  1
  W  W30  1  0.499994  0.250576  0.500000  1
  W  W31  1  0.583104  0.375519  0.500000  1
  W  W32  1  0.666364  0.500256  0.500000  1
  W  W33  1  0.749512  0.625298  0.500000  1
  W  W34  1  0.832755  0.750398  0.500000  1
  W  W35  1  0.916611  0.873746  0.500000  1
  W  W36  1  0.500167  0.000581  0.500000  1
  W  W37  1  0.583245  0.125487  0.500000  1
  W  W38  1  0.666498  0.249895  0.500000  1
  W  W39  1  0.749798  0.374901  0.500000  1
  W  W40  1  0.833957  0.499036  0.500000  1
  W  W41  1  0.913361  0.622015  0.500000  1
  W  W42  1  0.666185  0.000275  0.500000  1
  W  W43  1  0.749678  0.124707  0.500000  1
  W  W44  1  0.832997  0.249296  0.500000  1
  W  W45  1  0.916008  0.373893  0.500000  1
  W  W46  1  0.832508  -0.000598  0.500000  1
  W  W47  1  0.916450  0.124315  0.500000  1
  S  S48  1  0.089012  0.798044  0.385229  1
  S  S49  1  0.168941  0.918965  0.388510  1
  S  S50  1  0.082504  0.538517  0.387189  1
  S  S51  1  0.163132  0.667956  0.390800  1
  S  S52  1  0.250455  0.792957  0.390272  1
  S  S53  1  0.334172  0.917911  0.388868  1
  S  S54  1  0.083039  0.290787  0.389315  1
  S  S55  1  0.166366  0.415699  0.389454  1
  S  S56  1  0.248718  0.542340  0.389682  1
  S  S57  1  0.331541  0.667339  0.389497  1
  S  S58  1  0.416463  0.792685  0.389279  1
  S  S59  1  0.500022  0.917478  0.389109  1
  S  S60  1  0.083354  0.041359  0.389399  1
  S  S61  1  0.166674  0.166388  0.389471  1
  S  S62  1  0.249894  0.291523  0.389439  1
  S  S63  1  0.332773  0.417228  0.389516  1
  S  S64  1  0.415798  0.542359  0.389634  1
  S  S65  1  0.498951  0.667362  0.389602  1
  S  S66  1  0.582691  0.792399  0.389191  1
  S  S67  1  0.666059  0.917146  0.389053  1
  S  S68  1  0.251042  0.042674  0.389027  1
  S  S69  1  0.333709  0.167218  0.389217  1
  S  S70  1  0.416578  0.292316  0.389580  1
  S  S71  1  0.499698  0.417298  0.389492  1
  S  S72  1  0.582869  0.542204  0.389589  1
  S  S73  1  0.665957  0.667016  0.389560  1
  S  S74  1  0.749170  0.792120  0.389693  1
  S  S75  1  0.833075  0.915958  0.389659  1
  S  S76  1  0.417196  0.042550  0.389278  1
  S  S77  1  0.500157  0.167364  0.389352  1
  S  S78  1  0.583307  0.292114  0.389522  1
  S  S79  1  0.666509  0.416963  0.389508  1
  S  S80  1  0.750067  0.541616  0.389762  1
  S  S81  1  0.832147  0.667488  0.389569  1
  S  S82  1  0.915178  0.791242  0.389222  1
  S  S83  1  -0.000296  0.915850  0.390175  1
  S  S84  1  0.583245  0.042229  0.389283  1
  S  S85  1  0.666651  0.166689  0.389354  1
  S  S86  1  0.749845  0.291454  0.389528  1
  S  S87  1  0.833086  0.416016  0.389244  1
  S  S88  1  0.916571  0.540204  0.387390  1
  S  S89  1  -0.002197  0.673691  0.402000  1
  S  S90  1  0.749698  0.041371  0.389261  1
  S  S91  1  0.833135  0.165981  0.389425  1
  S  S92  1  0.916383  0.290613  0.389389  1
  S  S93  1  -0.000673  0.415267  0.389442  1
  S  S94  1  0.916384  0.040843  0.389534  1
  S  S95  1  -0.000171  0.165786  0.389416  1
  S  S96  1  0.089012  0.798044  0.614771  1
  S  S97  1  0.168941  0.918965  0.611490  1
  S  S98  1  0.082504  0.538517  0.612811  1
  S  S99  1  0.163132  0.667956  0.609200  1
  S  S100  1  0.250455  0.792957  0.609728  1
  S  S101  1  0.334172  0.917911  0.611132  1
  S  S102  1  0.083039  0.290787  0.610685  1
  S  S103  1  0.166366  0.415699  0.610546  1
  S  S104  1  0.248718  0.542341  0.610318  1
  S  S105  1  0.331541  0.667339  0.610503  1
  S  S106  1  0.416463  0.792685  0.610721  1
  S  S107  1  0.500022  0.917478  0.610891  1
  S  S108  1  0.083354  0.041359  0.610601  1
  S  S109  1  0.166674  0.166388  0.610529  1
  S  S110  1  0.249894  0.291523  0.610561  1
  S  S111  1  0.332773  0.417228  0.610484  1
  S  S112  1  0.415798  0.542359  0.610366  1
  S  S113  1  0.498951  0.667362  0.610399  1
  S  S114  1  0.582691  0.792399  0.610809  1
  S  S115  1  0.666059  0.917146  0.610947  1
  S  S116  1  0.251042  0.042674  0.610973  1
  S  S117  1  0.333709  0.167218  0.610783  1
  S  S118  1  0.416578  0.292316  0.610421  1
  S  S119  1  0.499698  0.417298  0.610508  1
  S  S120  1  0.582869  0.542204  0.610411  1
  S  S121  1  0.665957  0.667016  0.610440  1
  S  S122  1  0.749170  0.792120  0.610307  1
  S  S123  1  0.833075  0.915958  0.610341  1
  S  S124  1  0.417196  0.042550  0.610722  1
  S  S125  1  0.500157  0.167364  0.610648  1
  S  S126  1  0.583307  0.292114  0.610478  1
  S  S127  1  0.666509  0.416963  0.610493  1
  S  S128  1  0.750067  0.541616  0.610238  1
  S  S129  1  0.832147  0.667488  0.610431  1
  S  S130  1  0.915178  0.791242  0.610778  1
  S  S131  1  -0.000296  0.915850  0.609825  1
  S  S132  1  0.583245  0.042229  0.610717  1
  S  S133  1  0.666651  0.166689  0.610646  1
  S  S134  1  0.749845  0.291454  0.610472  1
  S  S135  1  0.833086  0.416016  0.610756  1
  S  S136  1  0.916571  0.540204  0.612610  1
  S  S137  1  -0.002197  0.673691  0.598000  1
  S  S138  1  0.749699  0.041371  0.610739  1
  S  S139  1  0.833135  0.165981  0.610575  1
  S  S140  1  0.916383  0.290613  0.610611  1
  S  S141  1  -0.000673  0.415267  0.610558  1
  S  S142  1  0.916384  0.040843  0.610465  1
  S  S143  1  -0.000171  0.165786  0.610584  1
  N  N144  1  0.039366  0.708635  0.500000  1
