# generated using pymatgen
data_PW47S96
_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   PW47S96
_chemical_formula_sum   'P1 W47 S96'
_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
  P  P1  1  0.000000  0.749781  0.500000  1
  W  W2  1  0.084328  0.876704  0.500000  1
  W  W3  1  0.000000  0.498983  0.500000  1
  W  W4  1  0.084651  0.623364  0.500000  1
  W  W5  1  0.168878  0.749835  0.500000  1
  W  W6  1  0.251011  0.875408  0.500000  1
  W  W7  1  0.000000  0.249481  0.500000  1
  W  W8  1  0.082282  0.375053  0.500000  1
  W  W9  1  0.166011  0.499494  0.500000  1
  W  W10  1  0.249266  0.625370  0.500000  1
  W  W11  1  0.333550  0.750746  0.500000  1
  W  W12  1  0.416309  0.875490  0.500000  1
  W  W13  1  -0.000000  -0.000806  0.500000  1
  W  W14  1  0.084530  0.124852  0.500000  1
  W  W15  1  0.166882  0.248828  0.500000  1
  W  W16  1  0.251103  0.375337  0.500000  1
  W  W17  1  0.332877  0.499502  0.500000  1
  W  W18  1  0.417129  0.625610  0.500000  1
  W  W19  1  0.500000  0.749673  0.500000  1
  W  W20  1  0.583691  0.875490  0.500000  1
  W  W21  1  0.167518  -0.000279  0.500000  1
  W  W22  1  0.249051  0.125483  0.500000  1
  W  W23  1  0.333380  0.250046  0.500000  1
  W  W24  1  0.414611  0.375642  0.500000  1
  W  W25  1  0.500000  0.500331  0.500000  1
  W  W26  1  0.582871  0.625610  0.500000  1
  W  W27  1  0.666450  0.750746  0.500000  1
  W  W28  1  0.748989  0.875408  0.500000  1
  W  W29  1  0.333518  -0.000701  0.500000  1
  W  W30  1  0.418024  0.126030  0.500000  1
  W  W31  1  0.500000  0.248780  0.500000  1
  W  W32  1  0.585389  0.375642  0.500000  1
  W  W33  1  0.667123  0.499502  0.500000  1
  W  W34  1  0.750734  0.625370  0.500000  1
  W  W35  1  0.831122  0.749835  0.500000  1
  W  W36  1  0.915672  0.876704  0.500000  1
  W  W37  1  0.500000  0.000279  0.500000  1
  W  W38  1  0.581976  0.126030  0.500000  1
  W  W39  1  0.666620  0.250046  0.500000  1
  W  W40  1  0.748897  0.375337  0.500000  1
  W  W41  1  0.833989  0.499494  0.500000  1
  W  W42  1  0.915349  0.623364  0.500000  1
  W  W43  1  0.666482  -0.000701  0.500000  1
  W  W44  1  0.750949  0.125483  0.500000  1
  W  W45  1  0.833118  0.248828  0.500000  1
  W  W46  1  0.917718  0.375053  0.500000  1
  W  W47  1  0.832482  -0.000279  0.500000  1
  W  W48  1  0.915470  0.124852  0.500000  1
  S  S49  1  0.084208  0.792100  0.390113  1
  S  S50  1  0.167623  0.916791  0.388722  1
  S  S51  1  0.083042  0.540872  0.388720  1
  S  S52  1  0.166268  0.666877  0.389437  1
  S  S53  1  0.250597  0.792223  0.388704  1
  S  S54  1  0.333698  0.916730  0.388671  1
  S  S55  1  0.083471  0.291287  0.389829  1
  S  S56  1  0.166575  0.416030  0.389788  1
  S  S57  1  0.249581  0.541793  0.389711  1
  S  S58  1  0.333136  0.666881  0.389705  1
  S  S59  1  0.416960  0.791988  0.389503  1
  S  S60  1  0.500000  0.916973  0.389465  1
  S  S61  1  0.083442  0.041215  0.389729  1
  S  S62  1  0.166640  0.166481  0.388444  1
  S  S63  1  0.249923  0.291585  0.389594  1
  S  S64  1  0.332891  0.417173  0.388226  1
  S  S65  1  0.416422  0.541911  0.389775  1
  S  S66  1  0.500000  0.666822  0.388909  1
  S  S67  1  0.583040  0.791988  0.389503  1
  S  S68  1  0.666302  0.916730  0.388671  1
  S  S69  1  0.250556  0.041826  0.389676  1
  S  S70  1  0.333343  0.166619  0.389642  1
  S  S71  1  0.416881  0.291863  0.389836  1
  S  S72  1  0.500000  0.416350  0.390436  1
  S  S73  1  0.583578  0.541911  0.389775  1
  S  S74  1  0.666864  0.666881  0.389705  1
  S  S75  1  0.749403  0.792223  0.388704  1
  S  S76  1  0.832377  0.916791  0.388722  1
  S  S77  1  0.416562  0.042098  0.389865  1
  S  S78  1  0.500000  0.166887  0.387897  1
  S  S79  1  0.583119  0.291863  0.389836  1
  S  S80  1  0.667109  0.417173  0.388226  1
  S  S81  1  0.750419  0.541793  0.389711  1
  S  S82  1  0.833732  0.666877  0.389437  1
  S  S83  1  0.915792  0.792100  0.390113  1
  S  S84  1  -0.000000  0.916201  0.389489  1
  S  S85  1  0.583438  0.042098  0.389865  1
  S  S86  1  0.666657  0.166619  0.389642  1
  S  S87  1  0.750077  0.291585  0.389594  1
  S  S88  1  0.833425  0.416030  0.389788  1
  S  S89  1  0.916958  0.540872  0.388720  1
  S  S90  1  0.000000  0.665756  0.390171  1
  S  S91  1  0.749444  0.041826  0.389676  1
  S  S92  1  0.833360  0.166481  0.388444  1
  S  S93  1  0.916529  0.291287  0.389829  1
  S  S94  1  0.000000  0.416377  0.388458  1
  S  S95  1  0.916558  0.041215  0.389729  1
  S  S96  1  0.000000  0.165899  0.389915  1
  S  S97  1  0.084208  0.792100  0.609887  1
  S  S98  1  0.167623  0.916791  0.611279  1
  S  S99  1  0.083042  0.540872  0.611280  1
  S  S100  1  0.166268  0.666878  0.610563  1
  S  S101  1  0.250597  0.792223  0.611296  1
  S  S102  1  0.333698  0.916730  0.611329  1
  S  S103  1  0.083471  0.291287  0.610171  1
  S  S104  1  0.166575  0.416030  0.610212  1
  S  S105  1  0.249581  0.541793  0.610289  1
  S  S106  1  0.333136  0.666881  0.610295  1
  S  S107  1  0.416960  0.791988  0.610497  1
  S  S108  1  0.500000  0.916973  0.610535  1
  S  S109  1  0.083442  0.041215  0.610271  1
  S  S110  1  0.166640  0.166481  0.611557  1
  S  S111  1  0.249923  0.291585  0.610406  1
  S  S112  1  0.332891  0.417173  0.611774  1
  S  S113  1  0.416422  0.541911  0.610225  1
  S  S114  1  0.500000  0.666822  0.611091  1
  S  S115  1  0.583040  0.791988  0.610497  1
  S  S116  1  0.666302  0.916730  0.611329  1
  S  S117  1  0.250556  0.041826  0.610324  1
  S  S118  1  0.333343  0.166619  0.610358  1
  S  S119  1  0.416881  0.291863  0.610164  1
  S  S120  1  0.500000  0.416350  0.609564  1
  S  S121  1  0.583578  0.541911  0.610225  1
  S  S122  1  0.666864  0.666881  0.610295  1
  S  S123  1  0.749403  0.792223  0.611296  1
  S  S124  1  0.832377  0.916791  0.611279  1
  S  S125  1  0.416562  0.042098  0.610135  1
  S  S126  1  0.500000  0.166887  0.612104  1
  S  S127  1  0.583119  0.291863  0.610164  1
  S  S128  1  0.667109  0.417173  0.611774  1
  S  S129  1  0.750419  0.541793  0.610289  1
  S  S130  1  0.833732  0.666877  0.610563  1
  S  S131  1  0.915792  0.792100  0.609887  1
  S  S132  1  0.000000  0.916201  0.610511  1
  S  S133  1  0.583438  0.042098  0.610135  1
  S  S134  1  0.666657  0.166619  0.610358  1
  S  S135  1  0.750077  0.291585  0.610406  1
  S  S136  1  0.833425  0.416030  0.610212  1
  S  S137  1  0.916958  0.540872  0.611280  1
  S  S138  1  -0.000000  0.665756  0.609829  1
  S  S139  1  0.749444  0.041826  0.610324  1
  S  S140  1  0.833360  0.166481  0.611557  1
  S  S141  1  0.916529  0.291287  0.610171  1
  S  S142  1  -0.000000  0.416377  0.611542  1
  S  S143  1  0.916558  0.041215  0.610271  1
  S  S144  1  -0.000000  0.165899  0.610086  1
