# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.84227768
_cell_length_b   35.29573207
_cell_length_c   49.60334563
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   87.05115569
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P504
_cell_volume   31196.6536781
_cell_formula_units_Z   504
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  0.025564  0.742437  0.283621  1
  P  P2  1  0.358898  0.409104  0.283621  1
  P  P3  1  0.267970  0.802250  0.319037  1
  P  P4  1  0.653062  0.770288  0.300071  1
  P  P5  1  0.986396  0.436954  0.300071  1
  P  P6  1  0.319729  1.103621  0.300071  1
  P  P7  1  0.692231  1.075771  0.283621  1
  P  P8  1  0.601303  0.468917  0.319037  1
  P  P9  1  0.934636  1.135584  0.319037  1
  P  P10  1  0.011056  1.051811  0.317851  1
  P  P11  1  0.344389  0.718477  0.317851  1
  P  P12  1  0.396386  1.019335  0.287934  1
  P  P13  1  0.709389  0.999854  0.326429  1
  P  P14  1  0.042722  0.666521  0.326429  1
  P  P15  1  0.376056  0.333187  0.326429  1
  P  P16  1  0.677722  0.385144  0.317851  1
  P  P17  1  0.729719  0.686002  0.287934  1
  P  P18  1  0.063052  0.352668  0.287934  1
  P  P19  1  0.101303  0.968917  0.319037  1
  P  P20  1  0.434636  0.635584  0.319037  1
  P  P21  1  0.486396  0.936954  0.300071  1
  P  P22  1  0.858898  0.909104  0.283621  1
  P  P23  1  0.192231  0.575771  0.283621  1
  P  P24  1  0.525564  0.242437  0.283621  1
  P  P25  1  0.767970  0.302250  0.319037  1
  P  P26  1  0.819729  0.603621  0.300071  1
  P  P27  1  0.153062  0.270288  0.300071  1
  P  P28  1  0.177722  0.885144  0.317851  1
  P  P29  1  0.511056  0.551811  0.317851  1
  P  P30  1  0.563052  0.852668  0.287934  1
  P  P31  1  0.876056  0.833187  0.326429  1
  P  P32  1  0.209389  0.499854  0.326429  1
  P  P33  1  0.542722  0.166521  0.326429  1
  P  P34  1  0.844389  0.218477  0.317851  1
  P  P35  1  0.896386  0.519335  0.287934  1
  P  P36  1  0.229719  0.186002  0.287934  1
  P  P37  1  0.987045  0.901309  0.330894  1
  P  P38  1  0.320379  0.567976  0.330894  1
  P  P39  1  0.294841  0.952443  0.309996  1
  P  P40  1  0.674909  0.922702  0.290807  1
  P  P41  1  0.008242  0.589368  0.290807  1
  P  P42  1  0.341576  0.256035  0.290807  1
  P  P43  1  0.653712  0.234642  0.330894  1
  P  P44  1  0.628175  0.619110  0.309996  1
  P  P45  1  0.961508  0.285777  0.309996  1
  P  P46  1  0.070200  0.816178  0.322524  1
  P  P47  1  0.403533  0.482844  0.322524  1
  P  P48  1  0.371402  0.868679  0.301036  1
  P  P49  1  0.751654  0.838521  0.277732  1
  P  P50  1  0.084987  0.505187  0.277732  1
  P  P51  1  0.418321  0.171854  0.277732  1
  P  P52  1  0.736866  0.149511  0.322524  1
  P  P53  1  0.704735  0.535346  0.301036  1
  P  P54  1  0.038068  0.202013  0.301036  1
  P  P55  1  0.153712  0.734642  0.330894  1
  P  P56  1  0.487045  0.401309  0.330894  1
  P  P57  1  0.461508  0.785777  0.309996  1
  P  P58  1  0.841576  0.756035  0.290807  1
  P  P59  1  0.174909  0.422702  0.290807  1
  P  P60  1  0.508242  1.089368  0.290807  1
  P  P61  1  0.820379  1.067976  0.330894  1
  P  P62  1  0.794841  0.452443  0.309996  1
  P  P63  1  0.128175  1.119110  0.309996  1
  P  P64  1  0.204735  1.035346  0.301036  1
  P  P65  1  0.538068  0.702013  0.301036  1
  P  P66  1  0.584987  1.005187  0.277732  1
  P  P67  1  0.903533  0.982844  0.322524  1
  P  P68  1  0.236866  0.649511  0.322524  1
  P  P69  1  0.570200  0.316178  0.322524  1
  P  P70  1  0.871402  0.368679  0.301036  1
  P  P71  1  0.918321  0.671854  0.277732  1
  P  P72  1  0.251654  0.338521  0.277732  1
  P  P73  1  0.960688  0.750784  0.342281  1
  P  P74  1  0.294022  0.417451  0.342281  1
  P  P75  1  0.187642  0.815587  0.375113  1
  P  P76  1  0.582344  0.781475  0.359642  1
  P  P77  1  0.915678  0.448142  0.359642  1
  P  P78  1  0.249011  1.114808  0.359642  1
  P  P79  1  0.627355  1.084118  0.342281  1
  P  P80  1  0.520975  0.482254  0.375113  1
  P  P81  1  0.854308  0.148921  0.375113  1
  P  P82  1  0.938485  1.065859  0.378292  1
  P  P83  1  0.271819  0.732525  0.378292  1
  P  P84  1  0.327041  1.030681  0.347975  1
  P  P85  1  0.636509  1.011655  0.387401  1
  P  P86  1  0.969843  0.678321  0.387401  1
  P  P87  1  0.303176  0.344988  0.387401  1
  P  P88  1  0.605152  0.399192  0.378292  1
  P  P89  1  0.660375  0.697348  0.347975  1
  P  P90  1  -0.006292  0.364015  0.347975  1
  P  P91  1  0.020975  0.982254  0.375113  1
  P  P92  1  0.354308  0.648921  0.375113  1
  P  P93  1  0.415678  0.948142  0.359642  1
  P  P94  1  0.794022  0.917451  0.342281  1
  P  P95  1  0.127355  0.584118  0.342281  1
  P  P96  1  0.460688  0.250784  0.342281  1
  P  P97  1  0.687642  0.315587  0.375113  1
  P  P98  1  0.749011  0.614808  0.359642  1
  P  P99  1  0.082344  0.281475  0.359642  1
  P  P100  1  0.105152  0.899192  0.378292  1
  P  P101  1  0.438485  0.565859  0.378292  1
  P  P102  1  0.493708  0.864015  0.347975  1
  P  P103  1  0.803176  0.844988  0.387401  1
  P  P104  1  0.136509  0.511655  0.387401  1
  P  P105  1  0.469843  0.178321  0.387401  1
  P  P106  1  0.771819  0.232525  0.378292  1
  P  P107  1  0.827041  0.530681  0.347975  1
  P  P108  1  0.160375  0.197348  0.347975  1
  P  P109  1  0.913064  0.915167  0.391134  1
  P  P110  1  0.246398  0.581834  0.391134  1
  P  P111  1  0.222450  0.963644  0.368579  1
  P  P112  1  0.605712  0.933460  0.350505  1
  P  P113  1  0.939046  0.600126  0.350505  1
  P  P114  1  0.272379  0.266793  0.350505  1
  P  P115  1  0.579731  0.248500  0.391134  1
  P  P116  1  0.555784  0.630310  0.368579  1
  P  P117  1  0.889117  0.296977  0.368579  1
  P  P118  1  0.992439  0.830685  0.380137  1
  P  P119  1  0.325773  0.497351  0.380137  1
  P  P120  1  0.302782  0.879962  0.362053  1
  P  P121  1  0.683656  0.848779  0.336798  1
  P  P122  1  0.016989  0.515445  0.336798  1
  P  P123  1  0.350322  0.182112  0.336798  1
  P  P124  1  0.659106  0.164018  0.380137  1
  P  P125  1  0.636115  0.546628  0.362053  1
  P  P126  1  0.969448  0.213295  0.362053  1
  P  P127  1  0.079731  0.748500  0.391134  1
  P  P128  1  0.413064  0.415167  0.391134  1
  P  P129  1  0.389117  0.796977  0.368579  1
  P  P130  1  0.772379  0.766793  0.350505  1
  P  P131  1  0.105712  0.433460  0.350505  1
  P  P132  1  0.439046  1.100126  0.350505  1
  P  P133  1  0.746398  1.081834  0.391134  1
  P  P134  1  0.722450  0.463644  0.368579  1
  P  P135  1  0.055784  1.130310  0.368579  1
  P  P136  1  0.136115  1.046628  0.362053  1
  P  P137  1  0.469448  0.713295  0.362053  1
  P  P138  1  0.516989  1.015445  0.336798  1
  P  P139  1  0.825773  0.997351  0.380137  1
  P  P140  1  0.159106  0.664018  0.380137  1
  P  P141  1  0.492439  0.330685  0.380137  1
  P  P142  1  0.802782  0.379962  0.362053  1
  P  P143  1  0.850322  0.682112  0.336798  1
  P  P144  1  0.183656  0.348779  0.336798  1
  P  P145  1  0.889648  0.762895  0.401813  1
  P  P146  1  0.222981  0.429562  0.401813  1
  P  P147  1  0.198295  0.744041  0.439149  1
  P  P148  1  0.510195  0.792289  0.419033  1
  P  P149  1  0.843528  0.458956  0.419033  1
  P  P150  1  0.176861  1.125623  0.419033  1
  P  P151  1  0.556314  1.096228  0.401813  1
  P  P152  1  0.531628  0.410708  0.439149  1
  P  P153  1  0.864961  1.077374  0.439149  1
  P  P154  1  0.946413  0.993663  0.433120  1
  P  P155  1  0.279747  0.660330  0.433120  1
  P  P156  1  0.256329  1.041518  0.409057  1
  P  P157  1  0.563712  1.022826  0.447667  1
  P  P158  1  0.897045  0.689493  0.447667  1
  P  P159  1  0.230379  0.356160  0.447667  1
  P  P160  1  0.613080  0.326997  0.433120  1
  P  P161  1  0.589662  0.708184  0.409057  1
  P  P162  1  0.922995  0.374851  0.409057  1
  P  P163  1  0.031628  0.910708  0.439149  1
  P  P164  1  0.364961  0.577374  0.439149  1
  P  P165  1  0.343528  0.958956  0.419033  1
  P  P166  1  0.722981  0.929562  0.401813  1
  P  P167  1  0.056314  0.596228  0.401813  1
  P  P168  1  0.389648  0.262895  0.401813  1
  P  P169  1  0.698295  0.244041  0.439149  1
  P  P170  1  0.676861  0.625623  0.419033  1
  P  P171  1  0.010195  0.292289  0.419033  1
  P  P172  1  0.113080  0.826997  0.433120  1
  P  P173  1  0.446413  0.493663  0.433120  1
  P  P174  1  0.422995  0.874851  0.409057  1
  P  P175  1  0.730379  0.856160  0.447667  1
  P  P176  1  0.063712  0.522826  0.447667  1
  P  P177  1  0.397045  0.189493  0.447667  1
  P  P178  1  0.779747  0.160330  0.433120  1
  P  P179  1  0.756329  0.541518  0.409057  1
  P  P180  1  0.089662  0.208184  0.409057  1
  P  P181  1  0.840362  0.926182  0.451515  1
  P  P182  1  0.173696  0.592849  0.451515  1
  P  P183  1  0.145831  0.975637  0.426404  1
  P  P184  1  0.534293  0.944229  0.410539  1
  P  P185  1  0.867626  0.610895  0.410539  1
  P  P186  1  0.200959  0.277562  0.410539  1
  P  P187  1  0.507029  0.259515  0.451515  1
  P  P188  1  0.479164  0.642304  0.426404  1
  P  P189  1  0.812498  0.308971  0.426404  1
  P  P190  1  0.920053  0.841869  0.439618  1
  P  P191  1  0.253386  0.508535  0.439618  1
  P  P192  1  0.228696  0.892182  0.423330  1
  P  P193  1  0.613040  0.859879  0.397211  1
  P  P194  1  0.946374  0.526546  0.397211  1
  P  P195  1  0.279707  0.193213  0.397211  1
  P  P196  1  0.586719  0.175202  0.439618  1
  P  P197  1  0.562029  0.558848  0.423330  1
  P  P198  1  0.895363  0.225515  0.423330  1
  P  P199  1  0.007029  0.759515  0.451515  1
  P  P200  1  0.340362  0.426182  0.451515  1
  P  P201  1  0.312498  0.808971  0.426404  1
  P  P202  1  0.700959  0.777562  0.410539  1
  P  P203  1  0.034293  0.444229  0.410539  1
  P  P204  1  0.367626  1.110895  0.410539  1
  P  P205  1  0.673696  1.092849  0.451515  1
  P  P206  1  0.645831  0.475637  0.426404  1
  P  P207  1  0.979164  0.142304  0.426404  1
  P  P208  1  0.062029  1.058848  0.423330  1
  P  P209  1  0.395363  0.725515  0.423330  1
  P  P210  1  0.446374  1.026546  0.397211  1
  P  P211  1  0.753386  1.008535  0.439618  1
  P  P212  1  0.086719  0.675202  0.439618  1
  P  P213  1  0.420053  0.341869  0.439618  1
  P  P214  1  0.728696  0.392182  0.423330  1
  P  P215  1  0.779707  0.693213  0.397211  1
  P  P216  1  0.113040  0.359879  0.397211  1
  P  P217  1  0.817564  0.773934  0.461658  1
  P  P218  1  0.150897  0.440601  0.461658  1
  P  P219  1  0.125471  0.754893  0.499823  1
  P  P220  1  0.435839  0.803174  0.477661  1
  P  P221  1  0.769173  0.469841  0.477661  1
  P  P222  1  0.102506  1.136508  0.477661  1
  P  P223  1  0.484231  1.107267  0.461658  1
  P  P224  1  0.458805  0.421560  0.499823  1
  P  P225  1  0.792138  1.088226  0.499823  1
  P  P226  1  0.872944  1.004304  0.491746  1
  P  P227  1  0.206278  0.670971  0.491746  1
  P  P228  1  0.183312  1.052585  0.469584  1
  P  P229  1  0.491220  1.033544  0.507749  1
  P  P230  1  0.824553  0.700211  0.507749  1
  P  P231  1  0.157887  0.366878  0.507749  1
  P  P232  1  0.539611  0.337637  0.491746  1
  P  P233  1  0.516646  0.719252  0.469584  1
  P  P234  1  0.849979  0.385919  0.469584  1
  P  P235  1  0.958805  0.921560  0.499823  1
  P  P236  1  0.292138  0.588226  0.499823  1
  P  P237  1  0.269173  0.969841  0.477661  1
  P  P238  1  0.650897  0.940601  0.461658  1
  P  P239  1  0.984231  0.607267  0.461658  1
  P  P240  1  0.317564  0.273934  0.461658  1
  P  P241  1  0.625471  0.254893  0.499823  1
  P  P242  1  0.602506  0.636508  0.477661  1
  P  P243  1  0.935839  0.303174  0.477661  1
  P  P244  1  0.039611  0.837637  0.491746  1
  P  P245  1  0.372944  0.504304  0.491746  1
  P  P246  1  0.349979  0.885919  0.469584  1
  P  P247  1  0.657887  0.866878  0.507749  1
  P  P248  1  0.991220  0.533544  0.507749  1
  P  P249  1  0.324553  0.200211  0.507749  1
  P  P250  1  0.706278  0.170971  0.491746  1
  P  P251  1  0.683312  0.552585  0.469584  1
  P  P252  1  0.016646  0.219252  0.469584  1
  P  P253  1  0.767603  0.936880  0.511740  1
  P  P254  1  0.100936  0.603547  0.511740  1
  P  P255  1  0.154392  0.903739  0.484703  1
  P  P256  1  0.461802  0.954877  0.470302  1
  P  P257  1  0.795136  0.621544  0.470302  1
  P  P258  1  0.128469  0.288210  0.470302  1
  P  P259  1  0.434269  0.270214  0.511740  1
  P  P260  1  0.487725  0.570406  0.484703  1
  P  P261  1  0.821059  0.237073  0.484703  1
  P  P262  1  0.846982  0.852602  0.499105  1
  P  P263  1  0.180315  0.519268  0.499105  1
  P  P264  1  0.237725  0.820406  0.484703  1
  P  P265  1  0.541181  0.870598  0.457667  1
  P  P266  1  0.874514  0.537265  0.457667  1
  P  P267  1  0.207848  0.203931  0.457667  1
  P  P268  1  0.513648  0.185935  0.499105  1
  P  P269  1  0.571059  0.487073  0.484703  1
  P  P270  1  0.904392  0.153739  0.484703  1
  P  P271  1  0.934269  0.770214  0.511740  1
  P  P272  1  0.267603  0.436880  0.511740  1
  P  P273  1  0.321059  0.737073  0.484703  1
  P  P274  1  0.628469  0.788210  0.470302  1
  P  P275  1  0.961802  0.454877  0.470302  1
  P  P276  1  0.295136  1.121544  0.470302  1
  P  P277  1  0.600936  1.103547  0.511740  1
  P  P278  1  0.654392  0.403739  0.484703  1
  P  P279  1  0.987725  1.070406  0.484703  1
  P  P280  1  0.071059  0.987073  0.484703  1
  P  P281  1  0.404392  0.653739  0.484703  1
  P  P282  1  0.374514  1.037265  0.457667  1
  P  P283  1  0.680315  1.019268  0.499105  1
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