# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.54638820
_cell_length_b   85.35421388
_cell_length_c   50.81372701
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.78240769
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P1008
_cell_volume   80158.7120797
_cell_formula_units_Z   1008
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  0.063981  0.948007  0.285306  1
  P  P2  1  0.063981  0.448007  0.285306  1
  P  P3  1  0.418837  0.939104  0.372324  1
  P  P4  1  0.418837  0.439104  0.372324  1
  P  P5  1  0.209082  0.958398  0.252857  1
  P  P6  1  0.209082  0.458398  0.252857  1
  P  P7  1  0.565610  0.948576  0.337195  1
  P  P8  1  0.565610  0.448576  0.337195  1
  P  P9  1  0.653892  0.641538  0.307038  1
  P  P10  1  0.653892  0.141538  0.307038  1
  P  P11  1  0.972283  0.632282  0.372312  1
  P  P12  1  0.972283  0.132282  0.372312  1
  P  P13  1  0.096845  0.733233  0.290036  1
  P  P14  1  0.096845  0.233233  0.290036  1
  P  P15  1  0.437154  0.720659  0.372325  1
  P  P16  1  0.437154  0.220659  0.372325  1
  P  P17  1  0.766567  0.725893  0.331119  1
  P  P18  1  0.766567  0.225893  0.331119  1
  P  P19  1  0.108435  0.717063  0.414873  1
  P  P20  1  0.108435  0.217063  0.414873  1
  P  P21  1  0.081111  0.941570  0.350958  1
  P  P22  1  0.081111  0.441570  0.350958  1
  P  P23  1  0.734700  0.951833  0.264876  1
  P  P24  1  0.734700  0.451833  0.264876  1
  P  P25  1  0.547745  0.748628  0.397344  1
  P  P26  1  0.547745  0.248628  0.397344  1
  P  P27  1  0.215591  0.757743  0.317672  1
  P  P28  1  0.215591  0.257743  0.317672  1
  P  P29  1  0.992470  0.637230  0.308622  1
  P  P30  1  0.992470  0.137230  0.308622  1
  P  P31  1  0.305199  0.637180  0.333881  1
  P  P32  1  0.305199  0.137180  0.333881  1
  P  P33  1  0.095021  0.775337  0.287513  1
  P  P34  1  0.095021  0.275337  0.287513  1
  P  P35  1  0.418768  0.756039  0.354471  1
  P  P36  1  0.418768  0.256039  0.354471  1
  P  P37  1  0.927154  0.751351  0.418300  1
  P  P38  1  0.927154  0.251351  0.418300  1
  P  P39  1  0.585265  0.760487  0.335640  1
  P  P40  1  0.585265  0.260487  0.335640  1
  P  P41  1  0.805554  0.737146  0.270716  1
  P  P42  1  0.805554  0.237146  0.270716  1
  P  P43  1  0.143083  0.727610  0.352530  1
  P  P44  1  0.143083  0.227610  0.352530  1
  P  P45  1  0.297488  0.496792  0.396068  1
  P  P46  1  0.297488  0.996792  0.396068  1
  P  P47  1  0.946815  0.503646  0.309690  1
  P  P48  1  0.946815  0.003646  0.309690  1
  P  P49  1  0.697715  0.884011  0.377495  1
  P  P50  1  0.697715  0.384011  0.377495  1
  P  P51  1  0.344463  0.895495  0.292580  1
  P  P52  1  0.344463  0.395495  0.292580  1
  P  P53  1  0.563284  0.534550  0.264274  1
  P  P54  1  0.563284  0.034550  0.264274  1
  P  P55  1  0.899627  0.529767  0.350308  1
  P  P56  1  0.899627  0.029767  0.350308  1
  P  P57  1  0.026277  0.892117  0.331925  1
  P  P58  1  0.026277  0.392117  0.331925  1
  P  P59  1  0.380385  0.878743  0.419469  1
  P  P60  1  0.380385  0.378743  0.419469  1
  P  P61  1  0.256489  0.792072  0.295967  1
  P  P62  1  0.256489  0.292072  0.295967  1
  P  P63  1  0.512256  0.784019  0.382307  1
  P  P64  1  0.512256  0.284019  0.382307  1
  P  P65  1  0.812586  0.723364  0.393722  1
  P  P66  1  0.812586  0.223364  0.393722  1
  P  P67  1  0.468426  0.732070  0.307811  1
  P  P68  1  0.468426  0.232070  0.307811  1
  P  P69  1  0.718477  0.669823  0.266031  1
  P  P70  1  0.718477  0.169823  0.266031  1
  P  P71  1  0.049960  0.664836  0.344422  1
  P  P72  1  0.049960  0.164836  0.344422  1
  P  P73  1  0.901691  0.947162  0.360268  1
  P  P74  1  0.901691  0.447162  0.360268  1
  P  P75  1  0.556473  0.956897  0.273222  1
  P  P76  1  0.556473  0.456897  0.273222  1
  P  P77  1  0.680671  0.474793  0.309906  1
  P  P78  1  0.680671  0.974793  0.309906  1
  P  P79  1  0.026728  0.466991  0.395567  1
  P  P80  1  0.026728  0.966991  0.395567  1
  P  P81  1  0.286180  0.927856  0.271467  1
  P  P82  1  0.286180  0.427856  0.271467  1
  P  P83  1  0.633045  0.916230  0.357661  1
  P  P84  1  0.633045  0.416230  0.357661  1
  P  P85  1  0.093712  0.934293  0.415042  1
  P  P86  1  0.093712  0.434293  0.415042  1
  P  P87  1  0.743202  0.943164  0.330459  1
  P  P88  1  0.743202  0.443164  0.330459  1
  P  P89  1  0.587320  0.667779  0.344419  1
  P  P90  1  0.587320  0.167779  0.344419  1
  P  P91  1  0.244474  0.673738  0.263191  1
  P  P92  1  0.244474  0.173738  0.263191  1
  P  P93  1  0.712922  0.751379  0.376492  1
  P  P94  1  0.712922  0.251379  0.376492  1
  P  P95  1  0.372375  0.762897  0.294769  1
  P  P96  1  0.372375  0.262897  0.294769  1
  P  P97  1  0.812556  0.629427  0.396611  1
  P  P98  1  0.812556  0.129427  0.396611  1
  P  P99  1  0.480306  0.639185  0.322599  1
  P  P100  1  0.480306  0.139185  0.322599  1
  P  P101  1  0.755913  0.670902  0.325588  1
  P  P102  1  0.755913  0.170902  0.325588  1
  P  P103  1  0.088628  0.658279  0.404301  1
  P  P104  1  0.088628  0.158279  0.404301  1
  P  P105  1  0.885385  0.532382  0.283088  1
  P  P106  1  0.885385  0.032382  0.283088  1
  P  P107  1  0.235836  0.528590  0.376054  1
  P  P108  1  0.235836  0.028590  0.376054  1
  P  P109  1  0.820874  0.635996  0.330074  1
  P  P110  1  0.820874  0.135996  0.330074  1
  P  P111  1  0.137467  0.634786  0.352095  1
  P  P112  1  0.137467  0.134786  0.352095  1
  P  P113  1  0.510996  0.473638  0.381352  1
  P  P114  1  0.510996  0.973638  0.381352  1
  P  P115  1  0.156660  0.483277  0.295448  1
  P  P116  1  0.156660  0.983277  0.295448  1
  P  P117  1  0.444553  0.506240  0.360466  1
  P  P118  1  0.444553  0.006240  0.360466  1
  P  P119  1  0.086091  0.513398  0.273865  1
  P  P120  1  0.086091  0.013398  0.273865  1
  P  P121  1  0.933304  0.728387  0.311116  1
  P  P122  1  0.933304  0.228387  0.311116  1
  P  P123  1  0.273776  0.719394  0.394250  1
  P  P124  1  0.273776  0.219394  0.394250  1
  P  P125  1  0.657106  0.697978  0.305012  1
  P  P126  1  0.657106  0.197978  0.305012  1
  P  P127  1  0.997595  0.689103  0.390498  1
  P  P128  1  0.997595  0.189103  0.390498  1
  P  P129  1  0.557338  0.530734  0.328416  1
  P  P130  1  0.557338  0.030734  0.328416  1
  P  P131  1  0.163328  0.545737  0.259152  1
  P  P132  1  0.163328  0.045737  0.259152  1
  P  P133  1  0.971005  0.914193  0.378528  1
  P  P134  1  0.971005  0.414193  0.378528  1
  P  P135  1  0.622215  0.924687  0.292684  1
  P  P136  1  0.622215  0.424687  0.292684  1
  P  P137  1  0.044367  0.755893  0.337759  1
  P  P138  1  0.044367  0.255893  0.337759  1
  P  P139  1  0.385194  0.747565  0.418380  1
  P  P140  1  0.385194  0.247565  0.418380  1
  P  P141  1  0.921756  0.764367  0.294564  1
  P  P142  1  0.921756  0.264367  0.294564  1
  P  P143  1  0.255293  0.755945  0.378628  1
  P  P144  1  0.255293  0.255945  0.378628  1
  P  P145  1  0.714119  0.656987  0.382818  1
  P  P146  1  0.714119  0.156987  0.382818  1
  P  P147  1  0.381679  0.666965  0.300523  1
  P  P148  1  0.381679  0.166965  0.300523  1
  P  P149  1  0.979201  0.725887  0.374036  1
  P  P150  1  0.979201  0.225887  0.374036  1
  P  P151  1  0.636994  0.734826  0.289528  1
  P  P152  1  0.636994  0.234826  0.289528  1
  P  P153  1  0.476723  0.486961  0.252896  1
  P  P154  1  0.476723  0.986961  0.252896  1
  P  P155  1  0.832657  0.480092  0.340258  1
  P  P156  1  0.832657  0.980092  0.340258  1
  P  P157  1  0.810560  0.911192  0.350430  1
  P  P158  1  0.810560  0.411192  0.350430  1
  P  P159  1  0.459748  0.922380  0.266402  1
  P  P160  1  0.459748  0.422380  0.266402  1
  P  P161  1  0.994442  0.702427  0.268253  1
  P  P162  1  0.994442  0.202427  0.268253  1
  P  P163  1  0.325906  0.693387  0.347335  1
  P  P164  1  0.325906  0.193387  0.347335  1
  P  P165  1  0.226794  0.951673  0.315911  1
  P  P166  1  0.226794  0.451673  0.315911  1
  P  P167  1  0.579292  0.941056  0.401483  1
  P  P168  1  0.579292  0.441056  0.401483  1
  P  P169  1  0.414927  0.628246  0.381095  1
  P  P170  1  0.414927  0.128246  0.381095  1
  P  P171  1  0.163280  0.639312  0.288946  1
  P  P172  1  0.163280  0.139312  0.288946  1
  P  P173  1  0.885793  0.662434  0.365609  1
  P  P174  1  0.885793  0.162434  0.365609  1
  P  P175  1  0.550655  0.668310  0.283167  1
  P  P176  1  0.550655  0.168310  0.283167  1
  P  P177  1  0.349607  0.471551  0.352188  1
  P  P178  1  0.349607  0.971551  0.352188  1
  P  P179  1  0.994584  0.479073  0.264523  1
  P  P180  1  0.994584  0.979073  0.264523  1
  P  P181  1  0.733425  0.522506  0.256895  1
  P  P182  1  0.733425  0.022506  0.256895  1
  P  P183  1  0.105267  0.509035  0.339534  1
  P  P184  1  0.105267  0.009035  0.339534  1
  P  P185  1  0.756197  0.936462  0.394537  1
  P  P186  1  0.756197  0.436462  0.394537  1
  P  P187  1  0.405731  0.946998  0.307816  1
  P  P188  1  0.405731  0.446998  0.307816  1
  P  P189  1  0.699295  0.695514  0.368725  1
  P  P190  1  0.699295  0.195514  0.368725  1
  P  P191  1  0.355480  0.702974  0.285215  1
  P  P192  1  0.355480  0.202974  0.285215  1
  P  P193  1  0.574024  0.525662  0.394645  1
  P  P194  1  0.574024  0.025662  0.394645  1
  P  P195  1  0.213737  0.536700  0.314761  1
  P  P196  1  0.213737  0.036700  0.314761  1
  P  P197  1  0.364260  0.464503  0.416421  1
  P  P198  1  0.364260  0.964503  0.416421  1
  P  P199  1  0.014855  0.473270  0.330958  1
  P  P200  1  0.014855  0.973270  0.330958  1
  P  P201  1  0.923486  0.937569  0.249066  1
  P  P202  1  0.923486  0.437569  0.249066  1
  P  P203  1  0.297579  0.919489  0.335850  1
  P  P204  1  0.297579  0.419489  0.335850  1
  P  P205  1  0.079361  0.671490  0.282742  1
  P  P206  1  0.079361  0.171490  0.282742  1
  P  P207  1  0.417739  0.664511  0.363146  1
  P  P208  1  0.417739  0.164511  0.363146  1
  P  P209  1  0.040116  0.882344  0.396621  1
  P  P210  1  0.040116  0.382344  0.396621  1
  P  P211  1  0.687615  0.893155  0.314150  1
  P  P212  1  0.687615  0.393155  0.314150  1
  P  P213  1  0.657206  0.776546  0.419707  1
  P  P214  1  0.657206  0.276546  0.419707  1
  P  P215  1  0.334652  0.786499  0.349392  1
  P  P216  1  0.334652  0.286499  0.349392  1
  P  P217  1  0.867601  0.698393  0.348476  1
  P  P218  1  0.867601  0.198393  0.348476  1
  P  P219  1  0.524298  0.705231  0.266551  1
  P  P220  1  0.524298  0.205231  0.266551  1
  P  P221  1  0.201555  0.885269  0.328799  1
  P  P222  1  0.201555  0.385269  0.328799  1
  P  P223  1  0.554607  0.874634  0.413869  1
  P  P224  1  0.554607  0.374634  0.413869  1
  P  P225  1  0.951834  0.924147  0.315521  1
  P  P226  1  0.951834  0.424147  0.315521  1
  P  P227  1  0.309870  0.910814  0.399392  1
  P  P228  1  0.309870  0.410814  0.399392  1
  P  P229  1  0.634463  0.494137  0.417447  1
  P  P230  1  0.634463  0.994137  0.417447  1
  P  P231  1  0.282479  0.503709  0.331526  1
  P  P232  1  0.282479  0.003709  0.331526  1
  P  P233  1  0.823719  0.903753  0.413674  1
  P  P234  1  0.823719  0.403753  0.413674  1
  P  P235  1  0.473765  0.913949  0.328097  1
  P  P236  1  0.473765  0.413949  0.328097  1
  P  P237  1  0.607743  0.503473  0.286685  1
  P  P238  1  0.607743  0.003473  0.286685  1
  P  P239  1  0.959659  0.498937  0.375085  1
  P  P240  1  0.959659  0.998937  0.375085  1
  P  P241  1  0.430170  0.512937  0.294181  1
  P  P242  1  0.430170  0.012937  0.294181  1
  P  P243  1  0.780102  0.504900  0.382356  1
  P  P244  1  0.780102  0.004900  0.382356  1
  P  P245  1  0.878860  0.754103  0.356348  1
  P  P246  1  0.878860  0.254103  0.356348  1
  P  P247  1  0.537923  0.763371  0.274567  1
  P  P248  1  0.537923  0.263371  0.274567  1
  P  P249  1  0.826232  0.778829  0.401871  1
  P  P250  1  0.826232  0.278829  0.401871  1
  P  P251  1  0.487413  0.788728  0.319391  1
  P  P252  1  0.487413  0.288728  0.319391  1
  P  P253  1  0.030155  0.700067  0.327968  1
  P  P254  1  0.030155  0.200067  0.327968  1
  P  P255  1  0.364837  0.689582  0.409430  1
  P  P256  1  0.364837  0.189582  0.409430  1
  P  P257  1  0.814907  0.489413  0.273195  1
  P  P258  1  0.814907  0.989413  0.273195  1
  P  P259  1  0.173690  0.476565  0.360149  1
  P  P260  1  0.173690  0.976565  0.360149  1
  P  P261  1  0.379393  0.537233  0.337835  1
  P  P262  1  0.379393  0.037233  0.337835  1
  P  P263  1  0.039627  0.540056  0.311745  1
  P  P264  1  0.039627  0.040056  0.311745  1
  P  P265  1  0.009106  0.908218  0.266483  1
  P  P266  1  0.009106  0.408218  0.266483  1
  P  P267  1  0.362100  0.886776  0.355562  1
  P  P268  1  0.362100  0.386776  0.355562  1
  P  P269  1  0.140249  0.917322  0.305952  1
  P  P270  1  0.140249  0.417322  0.305952  1
  P  P271  1  0.486231  0.906376  0.392111  1
  P  P272  1  0.486231  0.406376  0.392111  1
  P  P273  1  0.882212  0.956918  0.297042  1
  P  P274  1  0.882212  0.456918  0.297042  1
  P  P275  1  0.242175  0.943865  0.380041  1
  P  P276  1  0.242175  0.443865  0.380041  1
  P  P277  1  0.827436  0.685934  0.409351  1
  P  P278  1  0.827436  0.185934  0.409351  1
  P  P279  1  0.489657  0.695425  0.326004  1
  P  P280  1  0.489657  0.195425  0.326004  1
  P  P281  1  0.148920  0.909590  0.371052  1
  P  P282  1  0.148920  0.409590  0.371052  1
  P  P283  1  0.798784  0.919650  0.285719  1
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