# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   25.84154816
_cell_length_b   44.60120585
_cell_length_c   52.42751374
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.49489805
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P672
_cell_volume   60038.2572518
_cell_formula_units_Z   672
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  0.770823  0.808212  0.371907  1
  P  P2  1  0.270823  0.808212  0.371907  1
  P  P3  1  0.897188  0.823881  0.358525  1
  P  P4  1  0.397188  0.823881  0.358525  1
  P  P5  1  0.019051  0.192466  0.372820  1
  P  P6  1  0.519051  0.192466  0.372820  1
  P  P7  1  0.681888  0.386874  0.321244  1
  P  P8  1  0.181888  0.386874  0.321244  1
  P  P9  1  0.931831  0.386540  0.321233  1
  P  P10  1  0.431831  0.386540  0.321233  1
  P  P11  1  0.559650  0.832103  0.313168  1
  P  P12  1  0.059650  0.832103  0.313168  1
  P  P13  1  0.753236  0.431420  0.362478  1
  P  P14  1  0.253236  0.431420  0.362478  1
  P  P15  1  0.768375  0.192496  0.370772  1
  P  P16  1  0.268375  0.192496  0.370772  1
  P  P17  1  0.696444  0.459933  0.312918  1
  P  P18  1  0.196444  0.459933  0.312918  1
  P  P19  1  0.821215  0.460155  0.312846  1
  P  P20  1  0.321215  0.460155  0.312846  1
  P  P21  1  0.678777  0.370672  0.382919  1
  P  P22  1  0.178777  0.370672  0.382919  1
  P  P23  1  0.518241  0.967472  0.278201  1
  P  P24  1  0.018241  0.967472  0.278201  1
  P  P25  1  0.760410  0.745224  0.281810  1
  P  P26  1  0.260410  0.745224  0.281810  1
  P  P27  1  0.453795  0.007686  0.314005  1
  P  P28  1  0.953795  0.007686  0.314005  1
  P  P29  1  0.522901  0.740725  0.283379  1
  P  P30  1  0.022901  0.740725  0.283379  1
  P  P31  1  0.767614  0.503981  0.354782  1
  P  P32  1  0.267614  0.503981  0.354782  1
  P  P33  1  0.928704  0.370413  0.382801  1
  P  P34  1  0.428704  0.370413  0.382801  1
  P  P35  1  0.594289  0.251409  0.350933  1
  P  P36  1  0.094289  0.251409  0.350933  1
  P  P37  1  0.436551  0.848872  0.301474  1
  P  P38  1  0.936551  0.848872  0.301474  1
  P  P39  1  0.999102  0.876074  0.352447  1
  P  P40  1  0.499102  0.876074  0.352447  1
  P  P41  1  0.919040  0.755793  0.377353  1
  P  P42  1  0.419040  0.755793  0.377353  1
  P  P43  1  0.019769  0.808431  0.371471  1
  P  P44  1  0.519769  0.808431  0.371471  1
  P  P45  1  0.785612  0.280221  0.302246  1
  P  P46  1  0.285612  0.280221  0.302246  1
  P  P47  1  0.878233  0.431504  0.362325  1
  P  P48  1  0.378233  0.431504  0.362325  1
  P  P49  1  0.893356  0.191568  0.374203  1
  P  P50  1  0.393356  0.191568  0.374203  1
  P  P51  1  0.911378  0.281093  0.302025  1
  P  P52  1  0.411378  0.281093  0.302025  1
  P  P53  1  0.670745  0.986524  0.372687  1
  P  P54  1  0.170745  0.986524  0.372687  1
  P  P55  1  0.643977  0.191964  0.372612  1
  P  P56  1  0.143977  0.191964  0.372612  1
  P  P57  1  0.665302  0.917788  0.283885  1
  P  P58  1  0.165302  0.917788  0.283885  1
  P  P59  1  0.816019  0.935368  0.379516  1
  P  P60  1  0.316019  0.935368  0.379516  1
  P  P61  1  0.556856  0.386528  0.321285  1
  P  P62  1  0.056856  0.386528  0.321285  1
  P  P63  1  0.860194  0.340774  0.282031  1
  P  P64  1  0.360194  0.340774  0.282031  1
  P  P65  1  0.915242  0.987178  0.371732  1
  P  P66  1  0.415242  0.987178  0.371732  1
  P  P67  1  0.958311  0.781151  0.320249  1
  P  P68  1  0.458311  0.781151  0.320249  1
  P  P69  1  0.628096  0.431352  0.362380  1
  P  P70  1  0.128096  0.431352  0.362380  1
  P  P71  1  0.571134  0.459419  0.313057  1
  P  P72  1  0.071134  0.459419  0.313057  1
  P  P73  1  0.844690  0.252074  0.351431  1
  P  P74  1  0.344690  0.252074  0.351431  1
  P  P75  1  0.553806  0.370280  0.382809  1
  P  P76  1  0.053806  0.370280  0.382809  1
  P  P77  1  0.416953  0.917453  0.284298  1
  P  P78  1  0.916953  0.917453  0.284298  1
  P  P79  1  0.870072  0.788368  0.277475  1
  P  P80  1  0.370072  0.788368  0.277475  1
  P  P81  1  0.610635  0.341221  0.281941  1
  P  P82  1  0.110635  0.341221  0.281941  1
  P  P83  1  0.686227  0.849950  0.301735  1
  P  P84  1  0.186227  0.849950  0.301735  1
  P  P85  1  0.662320  0.209484  0.313547  1
  P  P86  1  0.162320  0.209484  0.313547  1
  P  P87  1  0.968778  0.251618  0.351484  1
  P  P88  1  0.468778  0.251618  0.351484  1
  P  P89  1  0.749603  0.875460  0.352399  1
  P  P90  1  0.249603  0.875460  0.352399  1
  P  P91  1  0.605620  0.960364  0.322145  1
  P  P92  1  0.105620  0.960364  0.322145  1
  P  P93  1  0.809393  0.832040  0.313133  1
  P  P94  1  0.309393  0.832040  0.313133  1
  P  P95  1  0.857159  0.325560  0.342121  1
  P  P96  1  0.357159  0.325560  0.342121  1
  P  P97  1  0.709061  0.008724  0.315589  1
  P  P98  1  0.209061  0.008724  0.315589  1
  P  P99  1  0.538581  0.900559  0.295550  1
  P  P100  1  0.038581  0.900559  0.295550  1
  P  P101  1  0.707681  0.782620  0.322280  1
  P  P102  1  0.207681  0.782620  0.322280  1
  P  P103  1  0.661592  0.280894  0.301803  1
  P  P104  1  0.161592  0.280894  0.301803  1
  P  P105  1  0.980144  0.714282  0.338831  1
  P  P106  1  0.480144  0.714282  0.338831  1
  P  P107  1  0.642946  0.503627  0.352525  1
  P  P108  1  0.142946  0.503627  0.352525  1
  P  P109  1  0.482441  0.325489  0.342079  1
  P  P110  1  0.982441  0.325489  0.342079  1
  P  P111  1  0.639252  0.721940  0.297784  1
  P  P112  1  0.139252  0.721940  0.297784  1
  P  P113  1  0.669063  0.754969  0.377748  1
  P  P114  1  0.169063  0.754969  0.377748  1
  P  P115  1  0.728045  0.942484  0.334124  1
  P  P116  1  0.228045  0.942484  0.334124  1
  P  P117  1  0.830603  0.764218  0.332767  1
  P  P118  1  0.330603  0.764218  0.332767  1
  P  P119  1  0.478662  0.943901  0.334573  1
  P  P120  1  0.978662  0.943901  0.334573  1
  P  P121  1  0.854058  0.959243  0.321543  1
  P  P122  1  0.354058  0.959243  0.321543  1
  P  P123  1  0.503090  0.431100  0.362301  1
  P  P124  1  1.003090  0.431100  0.362301  1
  P  P125  1  0.769836  0.519570  0.296743  1
  P  P126  1  0.269836  0.519570  0.296743  1
  P  P127  1  0.607748  0.325499  0.342166  1
  P  P128  1  0.107748  0.325499  0.342166  1
  P  P129  1  0.625564  0.892186  0.340546  1
  P  P130  1  0.125564  0.892186  0.340546  1
  P  P131  1  0.795142  0.001850  0.359540  1
  P  P132  1  0.295142  0.001850  0.359540  1
  P  P133  1  0.729790  0.713954  0.338669  1
  P  P134  1  0.229790  0.713954  0.338669  1
  P  P135  1  0.624945  0.788535  0.277381  1
  P  P136  1  0.124945  0.788535  0.277381  1
  P  P137  1  0.647172  0.824804  0.359496  1
  P  P138  1  0.147172  0.824804  0.359496  1
  P  P139  1  0.735726  0.341115  0.281940  1
  P  P140  1  0.235726  0.341115  0.281940  1
  P  P141  1  0.580659  0.765284  0.334395  1
  P  P142  1  0.080659  0.765284  0.334395  1
  P  P143  1  0.446282  0.459467  0.313041  1
  P  P144  1  0.946282  0.459467  0.313041  1
  P  P145  1  0.876336  0.891903  0.340401  1
  P  P146  1  0.376336  0.891903  0.340401  1
  P  P147  1  0.767013  0.967322  0.278066  1
  P  P148  1  0.267013  0.967322  0.278066  1
  P  P149  1  0.536476  0.281107  0.302063  1
  P  P150  1  0.036476  0.281107  0.302063  1
  P  P151  1  0.807092  0.387025  0.321150  1
  P  P152  1  0.307092  0.387025  0.321150  1
  P  P153  1  0.485482  0.341103  0.281829  1
  P  P154  1  0.985482  0.341103  0.281829  1
  P  P155  1  0.566897  0.936112  0.379087  1
  P  P156  1  0.066897  0.936112  0.379087  1
  P  P157  1  0.732684  0.326311  0.342102  1
  P  P158  1  0.232684  0.326311  0.342102  1
  P  P159  1  0.788710  0.900042  0.294762  1
  P  P160  1  0.288710  0.900042  0.294762  1
  P  P161  1  0.720165  0.253744  0.352856  1
  P  P162  1  0.220165  0.253744  0.352856  1
  P  P163  1  0.517383  0.503345  0.352797  1
  P  P164  1  0.017383  0.503345  0.352797  1
  P  P165  1  0.391908  0.503712  0.352583  1
  P  P166  1  0.891908  0.503712  0.352583  1
  P  P167  1  0.803867  0.370850  0.382849  1
  P  P168  1  0.303867  0.370850  0.382849  1
  P  P169  1  0.941659  0.759088  0.485592  1
  P  P170  1  0.441659  0.759088  0.485592  1
  P  P171  1  0.069504  0.774179  0.472845  1
  P  P172  1  0.569504  0.774179  0.472845  1
  P  P173  1  0.198500  0.147735  0.481958  1
  P  P174  1  0.698500  0.147735  0.481958  1
  P  P175  1  0.860894  0.342076  0.432963  1
  P  P176  1  0.360894  0.342076  0.432963  1
  P  P177  1  0.110759  0.342119  0.432948  1
  P  P178  1  0.610759  0.342119  0.432948  1
  P  P179  1  0.730746  0.783634  0.428658  1
  P  P180  1  0.230746  0.783634  0.428658  1
  P  P181  1  0.932005  0.386248  0.473606  1
  P  P182  1  0.432005  0.386248  0.473606  1
  P  P183  1  0.947727  0.146554  0.483990  1
  P  P184  1  0.447727  0.146554  0.483990  1
  P  P185  1  0.875080  0.415449  0.423669  1
  P  P186  1  0.375080  0.415449  0.423669  1
  P  P187  1  1.000309  0.415372  0.423547  1
  P  P188  1  0.500309  0.415372  0.423547  1
  P  P189  1  0.857853  0.325862  0.494231  1
  P  P190  1  0.357853  0.325862  0.494231  1
  P  P191  1  0.689081  0.919790  0.391566  1
  P  P192  1  0.189081  0.919790  0.391566  1
  P  P193  1  0.936895  0.688526  0.395545  1
  P  P194  1  0.436895  0.688526  0.395545  1
  P  P195  1  0.628242  0.962494  0.429627  1
  P  P196  1  0.128242  0.962494  0.429627  1
  P  P197  1  0.693257  0.687830  0.396221  1
  P  P198  1  0.193257  0.687830  0.396221  1
  P  P199  1  0.946344  0.458485  0.463556  1
  P  P200  1  0.446344  0.458485  0.463556  1
  P  P201  1  0.107598  0.325819  0.493837  1
  P  P202  1  0.607598  0.325819  0.493837  1
  P  P203  1  0.771469  0.207870  0.463000  1
  P  P204  1  0.271469  0.207870  0.463000  1
  P  P205  1  0.608760  0.798967  0.416037  1
  P  P206  1  0.108760  0.798967  0.416037  1
  P  P207  1  0.170341  0.827972  0.467300  1
  P  P208  1  0.670341  0.827972  0.467300  1
  P  P209  1  0.090362  0.705781  0.491263  1
  P  P210  1  0.590362  0.705781  0.491263  1
  P  P211  1  0.191385  0.759016  0.485443  1
  P  P212  1  0.691385  0.759016  0.485443  1
  P  P213  1  0.964840  0.235860  0.412812  1
  P  P214  1  0.464840  0.235860  0.412812  1
  P  P215  1  0.057017  0.387318  0.473674  1
  P  P216  1  0.557017  0.387318  0.473674  1
  P  P217  1  0.072659  0.146461  0.484279  1
  P  P218  1  0.572659  0.146461  0.484279  1
  P  P219  1  0.090237  0.235883  0.412578  1
  P  P220  1  0.590237  0.235883  0.412578  1
  P  P221  1  0.841605  0.938829  0.487273  1
  P  P222  1  0.341605  0.938829  0.487273  1
  P  P223  1  0.822595  0.147033  0.482566  1
  P  P224  1  0.322595  0.147033  0.482566  1
  P  P225  1  0.837475  0.867751  0.397809  1
  P  P226  1  0.337475  0.867751  0.397809  1
  P  P227  1  0.987775  0.886911  0.493488  1
  P  P228  1  0.487775  0.886911  0.493488  1
  P  P229  1  0.735794  0.342472  0.433005  1
  P  P230  1  0.235794  0.342472  0.433005  1
  P  P231  1  0.039827  0.296566  0.391904  1
  P  P232  1  0.539827  0.296566  0.391904  1
  P  P233  1  0.086427  0.939315  0.486696  1
  P  P234  1  0.586427  0.939315  0.486696  1
  P  P235  1  0.129901  0.730234  0.434326  1
  P  P236  1  0.629901  0.730234  0.434326  1
  P  P237  1  0.807133  0.387462  0.473666  1
  P  P238  1  0.307133  0.387462  0.473666  1
  P  P239  1  0.749974  0.415739  0.423695  1
  P  P240  1  0.249974  0.415739  0.423695  1
  P  P241  1  0.021432  0.206481  0.462241  1
  P  P242  1  0.521432  0.206481  0.462241  1
  P  P243  1  0.732989  0.325897  0.493885  1
  P  P244  1  0.232989  0.325897  0.493885  1
  P  P245  1  0.587292  0.867994  0.398092  1
  P  P246  1  0.087292  0.867994  0.398092  1
  P  P247  1  0.040304  0.739456  0.390417  1
  P  P248  1  0.540304  0.739456  0.390417  1
  P  P249  1  0.790033  0.297618  0.392500  1
  P  P250  1  0.290033  0.297618  0.392500  1
  P  P251  1  0.859011  0.799416  0.416202  1
  P  P252  1  0.359011  0.799416  0.416202  1
  P  P253  1  0.818266  0.164727  0.421914  1
  P  P254  1  0.318266  0.164727  0.421914  1
  P  P255  1  0.145870  0.206782  0.462413  1
  P  P256  1  0.645870  0.206782  0.462413  1
  P  P257  1  0.920530  0.827607  0.467169  1
  P  P258  1  0.420530  0.827607  0.467169  1
  P  P259  1  0.777403  0.912001  0.436683  1
  P  P260  1  0.277403  0.912001  0.436683  1
  P  P261  1  0.981191  0.783757  0.428583  1
  P  P262  1  0.481191  0.783757  0.428583  1
  P  P263  1  0.036410  0.280505  0.453215  1
  P  P264  1  0.536410  0.280505  0.453215  1
  P  P265  1  0.879974  0.963052  0.429857  1
  P  P266  1  0.379974  0.963052  0.429857  1
  P  P267  1  0.710008  0.852373  0.410412  1
  P  P268  1  0.210008  0.852373  0.410412  1
  P  P269  1  0.880517  0.731274  0.434768  1
  P  P270  1  0.380517  0.731274  0.434768  1
  P  P271  1  0.839659  0.236723  0.412462  1
  P  P272  1  0.339659  0.236723  0.412462  1
  P  P273  1  0.152166  0.663725  0.453078  1
  P  P274  1  0.652166  0.663725  0.453078  1
  P  P275  1  0.825079  0.475715  0.403197  1
  P  P276  1  0.325079  0.475715  0.403197  1
  P  P277  1  0.661555  0.280575  0.453300  1
  P  P278  1  0.161555  0.280575  0.453300  1
  P  P279  1  0.812530  0.672862  0.409737  1
  P  P280  1  0.312530  0.672862  0.409737  1
  P  P281  1  0.840523  0.705385  0.491138  1
  P  P282  1  0.340523  0.705385  0.491138  1
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