# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   54.88196505
_cell_length_b   39.52314251
_cell_length_c   50.11599439
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.59015777
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P576
_cell_volume   106917.722125
_cell_formula_units_Z   576
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  0.667573  0.544881  0.366158  1
  P  P2  1  0.020023  0.578933  0.324492  1
  P  P3  1  0.372473  0.612984  0.282825  1
  P  P4  1  0.667573  0.044881  0.366158  1
  P  P5  1  0.020023  0.078933  0.324492  1
  P  P6  1  0.372473  0.112984  0.282825  1
  P  P7  1  0.696045  0.413657  0.301588  1
  P  P8  1  0.048787  0.445032  0.260446  1
  P  P9  1  0.343595  0.379605  0.343254  1
  P  P10  1  0.696045  0.913657  0.301588  1
  P  P11  1  0.048787  0.945032  0.260446  1
  P  P12  1  0.343595  0.879605  0.343254  1
  P  P13  1  0.658284  0.622770  0.349630  1
  P  P14  1  0.010734  0.656821  0.307963  1
  P  P15  1  0.363184  0.690873  0.266296  1
  P  P16  1  0.658284  0.122770  0.349630  1
  P  P17  1  0.010734  0.156821  0.307963  1
  P  P18  1  0.363184  0.190873  0.266296  1
  P  P19  1  0.705334  0.335768  0.318116  1
  P  P20  1  0.057443  0.372451  0.275883  1
  P  P21  1  0.352884  0.301717  0.359783  1
  P  P22  1  0.705334  0.835768  0.318116  1
  P  P23  1  0.057443  0.872451  0.275883  1
  P  P24  1  0.352884  0.801717  0.359783  1
  P  P25  1  0.759909  0.694852  0.260570  1
  P  P26  1  0.056860  0.626438  0.343116  1
  P  P27  1  0.409310  0.660490  0.301450  1
  P  P28  1  0.759909  0.194852  0.260570  1
  P  P29  1  0.056860  0.126438  0.343116  1
  P  P30  1  0.409310  0.160490  0.301450  1
  P  P31  1  0.659208  0.366151  0.282963  1
  P  P32  1  0.954308  0.298048  0.366296  1
  P  P33  1  0.306758  0.332099  0.324630  1
  P  P34  1  0.659208  0.866151  0.282963  1
  P  P35  1  0.954308  0.798048  0.366296  1
  P  P36  1  0.306758  0.832099  0.324630  1
  P  P37  1  0.710064  0.703922  0.283350  1
  P  P38  1  0.003361  0.636175  0.367512  1
  P  P39  1  0.355811  0.670226  0.325846  1
  P  P40  1  0.710064  0.203922  0.283350  1
  P  P41  1  0.003361  0.136175  0.367512  1
  P  P42  1  0.355811  0.170226  0.325846  1
  P  P43  1  0.712707  0.356415  0.258567  1
  P  P44  1  0.007807  0.288312  0.341900  1
  P  P45  1  0.360257  0.322363  0.300233  1
  P  P46  1  0.712707  0.856415  0.258567  1
  P  P47  1  0.007807  0.788312  0.341900  1
  P  P48  1  0.360257  0.822363  0.300233  1
  P  P49  1  0.801053  0.500507  0.342948  1
  P  P50  1  0.153086  0.535300  0.300805  1
  P  P51  1  0.505918  0.568702  0.259582  1
  P  P52  1  0.801053  1.000507  0.342948  1
  P  P53  1  0.153086  0.035300  0.300805  1
  P  P54  1  0.505918  0.068702  0.259582  1
  P  P55  1  0.562565  0.458031  0.324798  1
  P  P56  1  0.915015  0.492082  0.283131  1
  P  P57  1  0.210115  0.423979  0.366464  1
  P  P58  1  0.562565  0.958031  0.324798  1
  P  P59  1  0.915015  0.992082  0.283131  1
  P  P60  1  0.210115  0.923979  0.366464  1
  P  P61  1  0.757237  0.521982  0.302594  1
  P  P62  1  0.110322  0.556252  0.261335  1
  P  P63  1  0.404787  0.487930  0.344261  1
  P  P64  1  0.757237  0.021982  0.302594  1
  P  P65  1  0.110322  0.056252  0.261335  1
  P  P66  1  0.404787  0.987930  0.344261  1
  P  P67  1  0.606381  0.436556  0.365152  1
  P  P68  1  0.958831  0.470608  0.323485  1
  P  P69  1  0.310589  0.504347  0.281830  1
  P  P70  1  0.606381  0.936556  0.365152  1
  P  P71  1  0.958831  0.970608  0.323485  1
  P  P72  1  0.310589  0.004347  0.281830  1
  P  P73  1  0.790329  0.575381  0.319496  1
  P  P74  1  0.142633  0.608424  0.277866  1
  P  P75  1  0.437879  0.541330  0.361163  1
  P  P76  1  0.790329  0.075381  0.319496  1
  P  P77  1  0.142633  0.108424  0.277866  1
  P  P78  1  0.437879  0.041330  0.361163  1
  P  P79  1  0.573288  0.383157  0.348249  1
  P  P80  1  0.925738  0.417208  0.306583  1
  P  P81  1  0.278253  0.452207  0.265293  1
  P  P82  1  0.573288  0.883157  0.348249  1
  P  P83  1  0.925738  0.917208  0.306583  1
  P  P84  1  0.278253  0.952207  0.265293  1
  P  P85  1  0.812265  0.513022  0.282682  1
  P  P86  1  0.107365  0.444919  0.366015  1
  P  P87  1  0.459815  0.478970  0.324349  1
  P  P88  1  0.812265  0.013022  0.282682  1
  P  P89  1  0.107365  0.944919  0.366015  1
  P  P90  1  0.459815  0.978970  0.324349  1
  P  P91  1  0.608774  0.547622  0.260032  1
  P  P92  1  0.903802  0.479568  0.343397  1
  P  P93  1  0.256844  0.513076  0.301308  1
  P  P94  1  0.608774  0.047622  0.260032  1
  P  P95  1  0.903802  0.979568  0.343397  1
  P  P96  1  0.256844  0.013076  0.301308  1
  P  P97  1  0.602062  0.757577  0.278253  1
  P  P98  1  0.897176  0.689548  0.361623  1
  P  P99  1  0.249626  0.723599  0.319956  1
  P  P100  1  0.602062  0.257577  0.278253  1
  P  P101  1  0.897176  0.189548  0.361623  1
  P  P102  1  0.249626  0.223599  0.319956  1
  P  P103  1  0.818892  0.303042  0.264457  1
  P  P104  1  0.113992  0.234939  0.347790  1
  P  P105  1  0.466442  0.268990  0.306123  1
  P  P106  1  0.818892  0.803042  0.264457  1
  P  P107  1  0.113992  0.734939  0.347790  1
  P  P108  1  0.466442  0.768990  0.306123  1
  P  P109  1  0.554065  0.656981  0.341534  1
  P  P110  1  0.906515  0.691032  0.299868  1
  P  P111  1  0.258965  0.725084  0.258201  1
  P  P112  1  0.554065  0.156981  0.341534  1
  P  P113  1  0.906515  0.191032  0.299868  1
  P  P114  1  0.258965  0.225084  0.258201  1
  P  P115  1  0.809552  0.301557  0.326211  1
  P  P116  1  0.162351  0.336318  0.284163  1
  P  P117  1  0.457102  0.267505  0.367878  1
  P  P118  1  0.809552  0.801557  0.326211  1
  P  P119  1  0.162351  0.836318  0.284163  1
  P  P120  1  0.457102  0.767505  0.367878  1
  P  P121  1  0.505685  0.634951  0.363499  1
  P  P122  1  0.858135  0.669002  0.321833  1
  P  P123  1  0.210585  0.703054  0.280166  1
  P  P124  1  0.505685  0.134951  0.363499  1
  P  P125  1  0.858135  0.169002  0.321833  1
  P  P126  1  0.210585  0.203054  0.280166  1
  P  P127  1  0.857933  0.323587  0.304246  1
  P  P128  1  0.209606  0.357814  0.262671  1
  P  P129  1  0.505483  0.289535  0.345913  1
  P  P130  1  0.857933  0.823587  0.304246  1
  P  P131  1  0.209606  0.857814  0.262671  1
  P  P132  1  0.505483  0.789535  0.345913  1
  P  P133  1  0.557153  0.586343  0.371153  1
  P  P134  1  0.909603  0.620394  0.329486  1
  P  P135  1  0.262053  0.654446  0.287820  1
  P  P136  1  0.557153  0.086343  0.371153  1
  P  P137  1  0.909603  0.120394  0.329486  1
  P  P138  1  0.262053  0.154446  0.287820  1
  P  P139  1  0.806465  0.372195  0.296593  1
  P  P140  1  0.159329  0.405287  0.255181  1
  P  P141  1  0.454015  0.338143  0.338259  1
  P  P142  1  0.806465  0.872195  0.296593  1
  P  P143  1  0.159329  0.905287  0.255181  1
  P  P144  1  0.454015  0.838143  0.338259  1
  P  P145  1  0.610223  0.442727  0.491158  1
  P  P146  1  0.962673  0.476778  0.449492  1
  P  P147  1  0.315123  0.510830  0.407825  1
  P  P148  1  0.610223  0.942727  0.491158  1
  P  P149  1  0.962673  0.976778  0.449492  1
  P  P150  1  0.315123  0.010830  0.407825  1
  P  P151  1  0.638695  0.311502  0.426588  1
  P  P152  1  0.991145  0.345554  0.384921  1
  P  P153  1  0.286245  0.277451  0.468254  1
  P  P154  1  0.638695  0.811502  0.426588  1
  P  P155  1  0.991145  0.845554  0.384921  1
  P  P156  1  0.286245  0.777451  0.468254  1
  P  P157  1  0.600934  0.520615  0.474630  1
  P  P158  1  0.953384  0.554667  0.432963  1
  P  P159  1  0.305834  0.588718  0.391296  1
  P  P160  1  0.600934  0.020615  0.474630  1
  P  P161  1  0.953384  0.054667  0.432963  1
  P  P162  1  0.305834  0.088718  0.391296  1
  P  P163  1  0.647983  0.233614  0.443116  1
  P  P164  1  1.000433  0.267665  0.401449  1
  P  P165  1  0.295533  0.199562  0.484783  1
  P  P166  1  0.647983  0.733614  0.443116  1
  P  P167  1  1.000433  0.767665  0.401449  1
  P  P168  1  0.295533  0.699562  0.484783  1
  P  P169  1  0.704410  0.592387  0.384783  1
  P  P170  1  0.999510  0.524284  0.468116  1
  P  P171  1  0.351960  0.558335  0.426450  1
  P  P172  1  0.704410  0.092387  0.384783  1
  P  P173  1  0.999510  0.024284  0.468116  1
  P  P174  1  0.351960  0.058335  0.426450  1
  P  P175  1  0.601858  0.263996  0.407963  1
  P  P176  1  0.896958  0.195893  0.491296  1
  P  P177  1  0.249408  0.229945  0.449630  1
  P  P178  1  0.601858  0.763996  0.407963  1
  P  P179  1  0.896958  0.695893  0.491296  1
  P  P180  1  0.249408  0.729945  0.449630  1
  P  P181  1  0.650911  0.602123  0.409179  1
  P  P182  1  0.946011  0.534020  0.492512  1
  P  P183  1  0.298461  0.568072  0.450846  1
  P  P184  1  0.650911  0.102123  0.409179  1
  P  P185  1  0.946011  0.034020  0.492512  1
  P  P186  1  0.298461  0.068072  0.450846  1
  P  P187  1  0.655357  0.254260  0.383567  1
  P  P188  1  0.950457  0.186157  0.466900  1
  P  P189  1  0.302907  0.220209  0.425233  1
  P  P190  1  0.655357  0.754260  0.383567  1
  P  P191  1  0.950457  0.686157  0.466900  1
  P  P192  1  0.302907  0.720209  0.425233  1
  P  P193  1  0.743703  0.398353  0.467948  1
  P  P194  1  0.096153  0.432404  0.426282  1
  P  P195  1  0.448603  0.466456  0.384615  1
  P  P196  1  0.743703  0.898353  0.467948  1
  P  P197  1  0.096153  0.932404  0.426282  1
  P  P198  1  0.448603  0.966456  0.384615  1
  P  P199  1  0.505215  0.355876  0.449798  1
  P  P200  1  0.857665  0.389927  0.408131  1
  P  P201  1  0.152765  0.321824  0.491464  1
  P  P202  1  0.505215  0.855876  0.449798  1
  P  P203  1  0.857665  0.889927  0.408131  1
  P  P204  1  0.152765  0.821824  0.491464  1
  P  P205  1  0.699887  0.419827  0.427594  1
  P  P206  1  0.052337  0.453879  0.385927  1
  P  P207  1  0.347437  0.385776  0.469261  1
  P  P208  1  0.699887  0.919827  0.427594  1
  P  P209  1  0.052337  0.953879  0.385927  1
  P  P210  1  0.347437  0.885776  0.469261  1
  P  P211  1  0.549031  0.334402  0.490152  1
  P  P212  1  0.901481  0.368453  0.448485  1
  P  P213  1  0.253931  0.402505  0.406819  1
  P  P214  1  0.549031  0.834402  0.490152  1
  P  P215  1  0.901481  0.868453  0.448485  1
  P  P216  1  0.253931  0.902505  0.406819  1
  P  P217  1  0.732979  0.473226  0.444496  1
  P  P218  1  0.085429  0.507278  0.402830  1
  P  P219  1  0.380529  0.439175  0.486163  1
  P  P220  1  0.732979  0.973226  0.444496  1
  P  P221  1  0.085429  0.007278  0.402830  1
  P  P222  1  0.380529  0.939175  0.486163  1
  P  P223  1  0.515938  0.281002  0.473249  1
  P  P224  1  0.868388  0.315054  0.431583  1
  P  P225  1  0.220838  0.349105  0.389916  1
  P  P226  1  0.515938  0.781002  0.473249  1
  P  P227  1  0.868388  0.815054  0.431583  1
  P  P228  1  0.220838  0.849105  0.389916  1
  P  P229  1  0.754915  0.410867  0.407682  1
  P  P230  1  0.050015  0.342764  0.491015  1
  P  P231  1  0.402465  0.376815  0.449349  1
  P  P232  1  0.754915  0.910867  0.407682  1
  P  P233  1  0.050015  0.842764  0.491015  1
  P  P234  1  0.402465  0.876815  0.449349  1
  P  P235  1  0.551352  0.445516  0.385064  1
  P  P236  1  0.846452  0.377413  0.468397  1
  P  P237  1  0.198902  0.411465  0.426730  1
  P  P238  1  0.551352  0.945516  0.385064  1
  P  P239  1  0.846452  0.877413  0.468397  1
  P  P240  1  0.198902  0.911465  0.426730  1
  P  P241  1  0.544726  0.655496  0.403289  1
  P  P242  1  0.839826  0.587393  0.486623  1
  P  P243  1  0.192276  0.621445  0.444956  1
  P  P244  1  0.544726  0.155496  0.403289  1
  P  P245  1  0.839826  0.087393  0.486623  1
  P  P246  1  0.192276  0.121445  0.444956  1
  P  P247  1  0.761542  0.200887  0.389457  1
  P  P248  1  0.056642  0.132784  0.472790  1
  P  P249  1  0.409092  0.166836  0.431123  1
  P  P250  1  0.761542  0.700887  0.389457  1
  P  P251  1  0.056642  0.632784  0.472790  1
  P  P252  1  0.409092  0.666836  0.431123  1
  P  P253  1  0.496715  0.554826  0.466534  1
  P  P254  1  0.849165  0.588878  0.424868  1
  P  P255  1  0.201615  0.622929  0.383201  1
  P  P256  1  0.496715  0.054826  0.466534  1
  P  P257  1  0.849165  0.088878  0.424868  1
  P  P258  1  0.201615  0.122929  0.383201  1
  P  P259  1  0.752202  0.199402  0.451211  1
  P  P260  1  0.104652  0.233454  0.409545  1
  P  P261  1  0.399752  0.165351  0.492878  1
  P  P262  1  0.752202  0.699402  0.451211  1
  P  P263  1  0.104652  0.733454  0.409545  1
  P  P264  1  0.399752  0.665351  0.492878  1
  P  P265  1  0.448335  0.532796  0.488499  1
  P  P266  1  0.800785  0.566848  0.446833  1
  P  P267  1  0.153235  0.600899  0.405166  1
  P  P268  1  0.448335  0.032796  0.488499  1
  P  P269  1  0.800785  0.066848  0.446833  1
  P  P270  1  0.153235  0.100899  0.405166  1
  P  P271  1  0.800583  0.221432  0.429246  1
  P  P272  1  0.153033  0.255484  0.387580  1
  P  P273  1  0.448133  0.187381  0.470913  1
  P  P274  1  0.800583  0.721432  0.429246  1
  P  P275  1  0.153033  0.755484  0.387580  1
  P  P276  1  0.448133  0.687381  0.470913  1
  P  P277  1  0.499802  0.484188  0.496153  1
  P  P278  1  0.852253  0.518240  0.454486  1
  P  P279  1  0.204703  0.552291  0.412820  1
  P  P280  1  0.499802  0.984188  0.496153  1
  P  P281  1  0.852253  0.018240  0.454486  1
  P  P282  1  0.204703  0.052291  0.412820  1
  P  P283  1  0.749115  0.270040  0.421593  1
  P  P284  1  0.101565  0.304092  0.379926  1
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  P  P574  1  0.634415  0.565731  0.671593  1
  P  P575  1  0.986865  0.599783  0.629926  1
  P  P576  1  0.281965  0.531680  0.713259  1
