# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   42.21937024
_cell_length_b   46.84631775
_cell_length_c   48.57919865
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.46002088
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P864
_cell_volume   95470.9530254
_cell_formula_units_Z   864
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  0.539274  0.716396  0.376307  1
  P  P2  1  0.390579  0.648485  0.366028  1
  P  P3  1  0.247870  0.628802  0.417798  1
  P  P4  1  0.205941  0.383063  0.376307  1
  P  P5  1  1.039274  0.716396  0.376307  1
  P  P6  1  0.057245  0.315152  0.366028  1
  P  P7  1  0.914537  0.295469  0.417798  1
  P  P8  1  0.890579  0.648485  0.366028  1
  P  P9  1  0.872607  0.049730  0.376307  1
  P  P10  1  0.747870  0.628802  0.417798  1
  P  P11  1  0.705941  0.383063  0.376307  1
  P  P12  1  0.723912  0.981818  0.366028  1
  P  P13  1  0.581204  0.962136  0.417798  1
  P  P14  1  0.557245  0.315152  0.366028  1
  P  P15  1  0.414537  0.295469  0.417798  1
  P  P16  1  0.372607  0.049730  0.376307  1
  P  P17  1  0.223912  0.981818  0.366028  1
  P  P18  1  0.081204  0.962136  0.417798  1
  P  P19  1  0.633643  0.555508  0.449494  1
  P  P20  1  0.371132  0.587663  0.405516  1
  P  P21  1  0.254989  0.556858  0.423060  1
  P  P22  1  0.300309  0.222174  0.449494  1
  P  P23  1  0.133643  0.555508  0.449494  1
  P  P24  1  1.037799  0.254329  0.405516  1
  P  P25  1  0.921655  0.223525  0.423060  1
  P  P26  1  0.871132  0.587663  0.405516  1
  P  P27  1  0.966976  0.888841  0.449494  1
  P  P28  1  0.754989  0.556858  0.423060  1
  P  P29  1  0.800309  0.222174  0.449494  1
  P  P30  1  0.704465  0.920996  0.405516  1
  P  P31  1  0.588322  0.890192  0.423060  1
  P  P32  1  0.537799  0.254329  0.405516  1
  P  P33  1  0.421655  0.223525  0.423060  1
  P  P34  1  0.466976  0.888841  0.449494  1
  P  P35  1  0.204465  0.920996  0.405516  1
  P  P36  1  0.088322  0.890192  0.423060  1
  P  P37  1  0.459339  0.688877  0.392536  1
  P  P38  1  0.328197  0.650278  0.408378  1
  P  P39  1  0.174544  0.624203  0.443521  1
  P  P40  1  0.126006  0.355544  0.392536  1
  P  P41  1  0.959339  0.688877  0.392536  1
  P  P42  1  0.994864  0.316945  0.408378  1
  P  P43  1  0.841211  0.290870  0.443521  1
  P  P44  1  0.828197  0.650278  0.408378  1
  P  P45  1  0.792672  0.022210  0.392536  1
  P  P46  1  0.674544  0.624203  0.443521  1
  P  P47  1  0.626006  0.355544  0.392536  1
  P  P48  1  0.661530  0.983611  0.408378  1
  P  P49  1  0.507878  0.957537  0.443521  1
  P  P50  1  0.494864  0.316945  0.408378  1
  P  P51  1  0.341211  0.290870  0.443521  1
  P  P52  1  0.292672  0.022210  0.392536  1
  P  P53  1  0.161530  0.983611  0.408378  1
  P  P54  1  1.007878  0.957537  0.443521  1
  P  P55  1  0.681364  0.507264  0.427784  1
  P  P56  1  0.446155  0.603861  0.398202  1
  P  P57  1  0.329325  0.526419  0.392960  1
  P  P58  1  0.348031  0.173931  0.427784  1
  P  P59  1  0.181364  0.507264  0.427784  1
  P  P60  1  0.112822  0.270528  0.398202  1
  P  P61  1  0.995992  0.193086  0.392960  1
  P  P62  1  0.946155  0.603861  0.398202  1
  P  P63  1  1.014698  0.840598  0.427784  1
  P  P64  1  0.829325  0.526419  0.392960  1
  P  P65  1  0.848031  0.173931  0.427784  1
  P  P66  1  0.779489  0.937194  0.398202  1
  P  P67  1  0.662658  0.859753  0.392960  1
  P  P68  1  0.612822  0.270528  0.398202  1
  P  P69  1  0.495992  0.193086  0.392960  1
  P  P70  1  0.514698  0.840598  0.427784  1
  P  P71  1  0.279489  0.937194  0.398202  1
  P  P72  1  0.162658  0.859753  0.392960  1
  P  P73  1  0.633257  0.678817  0.429952  1
  P  P74  1  0.413792  0.710930  0.344906  1
  P  P75  1  0.264228  0.677050  0.371024  1
  P  P76  1  0.299924  0.345484  0.429952  1
  P  P77  1  0.133257  0.678817  0.429952  1
  P  P78  1  0.080459  0.377596  0.344906  1
  P  P79  1  0.930894  0.343717  0.371024  1
  P  P80  1  0.913792  0.710930  0.344906  1
  P  P81  1  0.966591  0.012151  0.429952  1
  P  P82  1  0.764228  0.677050  0.371024  1
  P  P83  1  0.799924  0.345484  0.429952  1
  P  P84  1  0.747125  0.044263  0.344906  1
  P  P85  1  0.597561  0.010383  0.371024  1
  P  P86  1  0.580459  0.377596  0.344906  1
  P  P87  1  0.430894  0.343717  0.371024  1
  P  P88  1  0.466591  0.012151  0.429952  1
  P  P89  1  0.247125  0.044263  0.344906  1
  P  P90  1  0.097561  0.010383  0.371024  1
  P  P91  1  0.564111  0.549990  0.407176  1
  P  P92  1  0.390617  0.529083  0.440637  1
  P  P93  1  0.201585  0.536636  0.371783  1
  P  P94  1  0.230777  0.216657  0.407176  1
  P  P95  1  0.064111  0.549990  0.407176  1
  P  P96  1  0.057284  0.195750  0.440637  1
  P  P97  1  0.868252  0.203302  0.371783  1
  P  P98  1  0.890617  0.529083  0.440637  1
  P  P99  1  0.897444  0.883323  0.407176  1
  P  P100  1  0.701585  0.536636  0.371783  1
  P  P101  1  0.730777  0.216657  0.407176  1
  P  P102  1  0.723951  0.862417  0.440637  1
  P  P103  1  0.534918  0.869969  0.371783  1
  P  P104  1  0.557284  0.195750  0.440637  1
  P  P105  1  0.368252  0.203302  0.371783  1
  P  P106  1  0.397444  0.883323  0.407176  1
  P  P107  1  0.223951  0.862417  0.440637  1
  P  P108  1  1.034918  0.869969  0.371783  1
  P  P109  1  0.587045  0.829786  0.398835  1
  P  P110  1  0.427786  0.828302  0.445062  1
  P  P111  1  0.252753  0.871324  0.383339  1
  P  P112  1  0.253711  0.496452  0.398835  1
  P  P113  1  0.087045  0.829786  0.398835  1
  P  P114  1  0.094452  0.494968  0.445062  1
  P  P115  1  0.919419  0.537990  0.383339  1
  P  P116  1  0.927786  0.828302  0.445062  1
  P  P117  1  0.920378  0.163119  0.398835  1
  P  P118  1  0.752753  0.871324  0.383339  1
  P  P119  1  0.753711  0.496452  0.398835  1
  P  P120  1  0.761119  0.161635  0.445062  1
  P  P121  1  0.586086  0.204657  0.383339  1
  P  P122  1  0.594452  0.494968  0.445062  1
  P  P123  1  0.419419  0.537990  0.383339  1
  P  P124  1  0.420378  0.163119  0.398835  1
  P  P125  1  0.261119  0.161635  0.445062  1
  P  P126  1  0.086086  0.204657  0.383339  1
  P  P127  1  0.623518  0.702899  0.370776  1
  P  P128  1  0.386765  0.711466  0.406455  1
  P  P129  1  0.283349  0.695759  0.432587  1
  P  P130  1  0.290185  0.369565  0.370776  1
  P  P131  1  0.123518  0.702899  0.370776  1
  P  P132  1  0.053432  0.378132  0.406455  1
  P  P133  1  0.950016  0.362426  0.432587  1
  P  P134  1  0.886765  0.711466  0.406455  1
  P  P135  1  0.956852  0.036232  0.370776  1
  P  P136  1  0.783349  0.695759  0.432587  1
  P  P137  1  0.790185  0.369565  0.370776  1
  P  P138  1  0.720098  0.044799  0.406455  1
  P  P139  1  0.616682  0.029093  0.432587  1
  P  P140  1  0.553432  0.378132  0.406455  1
  P  P141  1  0.450016  0.362426  0.432587  1
  P  P142  1  0.456852  0.036232  0.370776  1
  P  P143  1  0.220098  0.044799  0.406455  1
  P  P144  1  0.116682  0.029093  0.432587  1
  P  P145  1  0.634567  0.796137  0.434942  1
  P  P146  1  0.387662  0.815891  0.388754  1
  P  P147  1  0.275543  0.816400  0.419465  1
  P  P148  1  0.301234  0.462804  0.434942  1
  P  P149  1  0.134567  0.796137  0.434942  1
  P  P150  1  0.054328  0.482558  0.388754  1
  P  P151  1  0.942209  0.483067  0.419465  1
  P  P152  1  0.887662  0.815891  0.388754  1
  P  P153  1  0.967900  0.129471  0.434942  1
  P  P154  1  0.775543  0.816400  0.419465  1
  P  P155  1  0.801234  0.462804  0.434942  1
  P  P156  1  0.720995  0.149225  0.388754  1
  P  P157  1  0.608876  0.149734  0.419465  1
  P  P158  1  0.554328  0.482558  0.388754  1
  P  P159  1  0.442209  0.483067  0.419465  1
  P  P160  1  0.467900  0.129471  0.434942  1
  P  P161  1  0.220995  0.149225  0.388754  1
  P  P162  1  0.108876  0.149734  0.419465  1
  P  P163  1  0.594259  0.734129  0.421633  1
  P  P164  1  0.439754  0.712520  0.457133  1
  P  P165  1  0.247210  0.748973  0.408844  1
  P  P166  1  0.260926  0.400796  0.421633  1
  P  P167  1  0.094259  0.734129  0.421633  1
  P  P168  1  0.106420  0.379187  0.457133  1
  P  P169  1  0.913877  0.415640  0.408844  1
  P  P170  1  0.939754  0.712520  0.457133  1
  P  P171  1  0.927593  0.067462  0.421633  1
  P  P172  1  0.747210  0.748973  0.408844  1
  P  P173  1  0.760926  0.400796  0.421633  1
  P  P174  1  0.773087  0.045854  0.457133  1
  P  P175  1  0.580544  0.082306  0.408844  1
  P  P176  1  0.606420  0.379187  0.457133  1
  P  P177  1  0.413877  0.415640  0.408844  1
  P  P178  1  0.427593  0.067462  0.421633  1
  P  P179  1  0.273087  0.045854  0.457133  1
  P  P180  1  0.080544  0.082306  0.408844  1
  P  P181  1  0.547961  0.780750  0.434034  1
  P  P182  1  0.328581  0.857163  0.383531  1
  P  P183  1  0.204510  0.807380  0.394128  1
  P  P184  1  0.214628  0.447416  0.434034  1
  P  P185  1  0.047961  0.780750  0.434034  1
  P  P186  1  0.995248  0.523829  0.383531  1
  P  P187  1  0.871176  0.474047  0.394128  1
  P  P188  1  0.828581  0.857163  0.383531  1
  P  P189  1  0.881294  0.114083  0.434034  1
  P  P190  1  0.704510  0.807380  0.394128  1
  P  P191  1  0.714628  0.447416  0.434034  1
  P  P192  1  0.661914  0.190496  0.383531  1
  P  P193  1  0.537843  0.140714  0.394128  1
  P  P194  1  0.495248  0.523829  0.383531  1
  P  P195  1  0.371176  0.474047  0.394128  1
  P  P196  1  0.381294  0.114083  0.434034  1
  P  P197  1  0.161914  0.190496  0.383531  1
  P  P198  1  1.037843  0.140714  0.394128  1
  P  P199  1  0.671507  0.743293  0.412777  1
  P  P200  1  0.514345  0.715781  0.437968  1
  P  P201  1  0.279681  0.738718  0.348508  1
  P  P202  1  0.338173  0.409960  0.412777  1
  P  P203  1  0.171507  0.743293  0.412777  1
  P  P204  1  0.181011  0.382448  0.437968  1
  P  P205  1  0.946348  0.405385  0.348508  1
  P  P206  1  1.014345  0.715781  0.437968  1
  P  P207  1  1.004840  0.076627  0.412777  1
  P  P208  1  0.779681  0.738718  0.348508  1
  P  P209  1  0.838173  0.409960  0.412777  1
  P  P210  1  0.847678  0.049114  0.437968  1
  P  P211  1  0.613015  0.072052  0.348508  1
  P  P212  1  0.681011  0.382448  0.437968  1
  P  P213  1  0.446348  0.405385  0.348508  1
  P  P214  1  0.504840  0.076627  0.412777  1
  P  P215  1  0.347678  0.049114  0.437968  1
  P  P216  1  0.113015  0.072052  0.348508  1
  P  P217  1  0.561422  0.532992  0.345107  1
  P  P218  1  0.471683  0.549240  0.441596  1
  P  P219  1  0.314992  0.526208  0.455648  1
  P  P220  1  0.228089  0.199659  0.345107  1
  P  P221  1  0.061422  0.532992  0.345107  1
  P  P222  1  0.138349  0.215906  0.441596  1
  P  P223  1  0.981658  0.192874  0.455648  1
  P  P224  1  0.971683  0.549240  0.441596  1
  P  P225  1  0.894756  0.866325  0.345107  1
  P  P226  1  0.814992  0.526208  0.455648  1
  P  P227  1  0.728089  0.199659  0.345107  1
  P  P228  1  0.805016  0.882573  0.441596  1
  P  P229  1  0.648325  0.859541  0.455648  1
  P  P230  1  0.638349  0.215906  0.441596  1
  P  P231  1  0.481658  0.192875  0.455648  1
  P  P232  1  0.394756  0.866325  0.345107  1
  P  P233  1  0.305016  0.882573  0.441596  1
  P  P234  1  0.148325  0.859541  0.455648  1
  P  P235  1  0.556801  0.666116  0.414137  1
  P  P236  1  0.404810  0.650762  0.427793  1
  P  P237  1  0.204060  0.719917  0.357176  1
  P  P238  1  0.223468  0.332783  0.414137  1
  P  P239  1  0.056801  0.666116  0.414137  1
  P  P240  1  0.071477  0.317429  0.427793  1
  P  P241  1  0.870727  0.386584  0.357176  1
  P  P242  1  0.904810  0.650762  0.427793  1
  P  P243  1  0.890135  -0.000551  0.414137  1
  P  P244  1  0.704060  0.719917  0.357176  1
  P  P245  1  0.723468  0.332783  0.414137  1
  P  P246  1  0.738144  0.984096  0.427793  1
  P  P247  1  0.537393  0.053251  0.357176  1
  P  P248  1  0.571477  0.317429  0.427793  1
  P  P249  1  0.370727  0.386584  0.357176  1
  P  P250  1  0.390135  -0.000551  0.414137  1
  P  P251  1  0.238144  0.984096  0.427793  1
  P  P252  1  1.037393  0.053251  0.357176  1
  P  P253  1  0.576402  0.695452  0.473336  1
  P  P254  1  0.337695  0.695861  0.356870  1
  P  P255  1  0.206063  0.683745  0.411522  1
  P  P256  1  0.243068  0.362118  0.473336  1
  P  P257  1  0.076402  0.695452  0.473336  1
  P  P258  1  1.004361  0.362528  0.356870  1
  P  P259  1  0.872730  0.350412  0.411522  1
  P  P260  1  0.837695  0.695861  0.356870  1
  P  P261  1  0.909735  0.028785  0.473336  1
  P  P262  1  0.706063  0.683745  0.411522  1
  P  P263  1  0.743068  0.362118  0.473336  1
  P  P264  1  0.671028  0.029195  0.356870  1
  P  P265  1  0.539396  0.017079  0.411522  1
  P  P266  1  0.504361  0.362528  0.356870  1
  P  P267  1  0.372730  0.350412  0.411522  1
  P  P268  1  0.409735  0.028785  0.473336  1
  P  P269  1  0.171028  0.029195  0.356870  1
  P  P270  1  1.039396  0.017079  0.411522  1
  P  P271  1  0.607276  0.882898  0.357737  1
  P  P272  1  0.457993  0.856248  0.386377  1
  P  P273  1  0.349541  0.829787  0.444149  1
  P  P274  1  0.273943  0.549565  0.357737  1
  P  P275  1  0.107276  0.882898  0.357737  1
  P  P276  1  0.124659  0.522914  0.386377  1
  P  P277  1  1.016208  0.496454  0.444149  1
  P  P278  1  0.957993  0.856248  0.386377  1
  P  P279  1  0.940609  0.216232  0.357737  1
  P  P280  1  0.849541  0.829787  0.444149  1
  P  P281  1  0.773943  0.549565  0.357737  1
  P  P282  1  0.791326  0.189581  0.386377  1
  P  P283  1  0.682874  0.163120  0.444149  1
  P  P284  1  0.624659  0.522914  0.386377  1
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