# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.82920858
_cell_length_b   41.35396750
_cell_length_c   51.09544380
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P168
_cell_volume   16543.1124176
_cell_formula_units_Z   168
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  0.377678  0.914647  0.421221  1
  P  P2  1  0.515819  0.936670  0.364214  1
  P  P3  1  0.241423  0.325175  0.323630  1
  P  P4  1  0.852935  0.477235  0.417776  1
  P  P5  1  0.393396  0.488767  0.319059  1
  P  P6  1  0.642827  0.908245  0.471600  1
  P  P7  1  0.117641  0.539013  0.415142  1
  P  P8  1  0.662176  0.304180  0.419334  1
  P  P9  1  0.704751  0.551752  0.407407  1
  P  P10  1  0.977201  0.559016  0.357645  1
  P  P11  1  0.176334  0.483286  0.460597  1
  P  P12  1  0.119112  0.032705  0.465583  1
  P  P13  1  0.016170  0.812162  0.371006  1
  P  P14  1  0.126133  0.086341  0.512591  1
  P  P15  1  0.577495  0.796916  0.469645  1
  P  P16  1  0.964180  0.612463  0.404120  1
  P  P17  1  0.714261  0.498075  0.359309  1
  P  P18  1  0.063575  0.346199  0.475098  1
  P  P19  1  0.321873  0.913131  0.513351  1
  P  P20  1  0.576117  0.988767  0.319059  1
  P  P21  1  0.772848  0.876042  0.367380  1
  P  P22  1  0.836901  0.928100  0.321280  1
  P  P23  1  0.196665  0.376042  0.367380  1
  P  P24  1  0.386494  0.545670  0.364142  1
  P  P25  1  0.953343  0.312162  0.371006  1
  P  P26  1  0.484911  0.387369  0.317129  1
  P  P27  1  0.862930  0.093812  0.461668  1
  P  P28  1  0.392018  0.296916  0.469645  1
  P  P29  1  0.525779  0.990604  0.410217  1
  P  P30  1  0.264763  0.051752  0.407407  1
  P  P31  1  0.587696  0.470845  0.468430  1
  P  P32  1  0.132612  0.428100  0.321280  1
  P  P33  1  0.319526  0.105955  0.362885  1
  P  P34  1  0.484602  0.887369  0.317129  1
  P  P35  1  0.850401  0.532705  0.465583  1
  P  P36  1  0.438498  0.546011  0.457474  1
  P  P37  1  0.601421  0.358426  0.373428  1
  P  P38  1  0.909768  0.475761  0.510412  1
  P  P39  1  0.059745  0.975761  0.510412  1
  P  P40  1  0.087025  0.864940  0.325565  1
  P  P41  1  0.591835  0.414647  0.421221  1
  P  P42  1  0.789786  0.928732  0.413729  1
  P  P43  1  0.065006  0.292036  0.430003  1
  P  P44  1  0.882488  0.364940  0.325565  1
  P  P45  1  0.116578  0.977235  0.417776  1
  P  P46  1  0.531015  0.046011  0.457474  1
  P  P47  1  0.112568  0.922083  0.369984  1
  P  P48  1  0.453694  0.436670  0.364214  1
  P  P49  1  0.596350  0.100044  0.410648  1
  P  P50  1  0.381817  0.970845  0.468430  1
  P  P51  1  0.049961  0.866121  0.416131  1
  P  P52  1  0.919552  0.366121  0.416131  1
  P  P53  1  0.728090  0.825175  0.323630  1
  P  P54  1  0.373163  0.600044  0.410648  1
  P  P55  1  0.647640  0.413131  0.513351  1
  P  P56  1  0.904507  0.792036  0.430003  1
  P  P57  1  0.316332  0.857881  0.466185  1
  P  P58  1  0.851872  0.039013  0.415142  1
  P  P59  1  0.368092  0.858426  0.373428  1
  P  P60  1  0.386332  0.025638  0.515774  1
  P  P61  1  -0.007688  0.059016  0.357645  1
  P  P62  1  0.583181  0.525638  0.515774  1
  P  P63  1  0.649987  0.605955  0.362885  1
  P  P64  1  0.912993  0.420683  0.463407  1
  P  P65  1  0.793179  0.983286  0.460597  1
  P  P66  1  0.005333  0.112463  0.404120  1
  P  P67  1  0.307337  0.804180  0.419334  1
  P  P68  1  0.638259  0.852381  0.424448  1
  P  P69  1  0.056520  0.920683  0.463407  1
  P  P70  1  0.856945  0.422083  0.369984  1
  P  P71  1  0.905938  0.846199  0.475098  1
  P  P72  1  0.172971  0.538712  0.507360  1
  P  P73  1  0.255252  0.998075  0.359309  1
  P  P74  1  0.583019  0.045670  0.364142  1
  P  P75  1  0.653182  0.357881  0.466185  1
  P  P76  1  0.121503  0.484292  0.367417  1
  P  P77  1  0.326686  0.408245  0.471600  1
  P  P78  1  0.796542  0.038712  0.507360  1
  P  P79  1  0.179727  0.428732  0.413729  1
  P  P80  1  0.848010  0.984292  0.367417  1
  P  P81  1  0.331254  0.352381  0.424448  1
  P  P82  1  0.106583  0.593812  0.461668  1
  P  P83  1  0.843381  0.586341  0.512591  1
  P  P84  1  0.443734  0.490604  0.410217  1
  P  P85  1  0.443734  0.886198  0.622002  1
  P  P86  1  0.587696  0.905957  0.563789  1
  P  P87  1  0.126133  0.290460  0.519628  1
  P  P88  1  0.789786  0.448070  0.618490  1
  P  P89  1  0.321873  0.463671  0.518868  1
  P  P90  1  0.714261  0.878726  0.672910  1
  P  P91  1  0.049961  0.510680  0.616088  1
  P  P92  1  0.596350  0.276757  0.621571  1
  P  P93  1  0.638259  0.524420  0.607771  1
  P  P94  1  0.905938  0.530602  0.557121  1
  P  P95  1  0.112568  0.454719  0.662235  1
  P  P96  1  0.196665  1.000760  0.664839  1
  P  P97  1  0.106583  0.782990  0.570551  1
  P  P98  1  0.241423  0.051626  0.708589  1
  P  P99  1  0.649987  0.770846  0.669335  1
  P  P100  1  0.904507  0.584765  0.602216  1
  P  P101  1  0.642827  0.468556  0.560619  1
  P  P102  1  -0.007688  0.317786  0.674574  1
  P  P103  1  0.393396  0.888035  0.713160  1
  P  P104  1  0.647640  0.963671  0.518868  1
  P  P105  1  0.850401  0.844096  0.566636  1
  P  P106  1  0.909768  0.901041  0.521808  1
  P  P107  1  0.119112  0.344096  0.566636  1
  P  P108  1  0.316332  0.518920  0.566034  1
  P  P109  1  0.862930  0.282990  0.570551  1
  P  P110  1  0.386332  0.351163  0.516445  1
  P  P111  1  0.953343  0.064640  0.661213  1
  P  P112  1  0.319526  0.270846  0.669335  1
  P  P113  1  0.591835  0.962155  0.610998  1
  P  P114  1  0.331254  0.024420  0.607771  1
  P  P115  1  0.515819  0.440132  0.668005  1
  P  P116  1  0.059745  0.401041  0.521808  1
  P  P117  1  0.392018  0.079886  0.562574  1
  P  P118  1  0.583181  0.851163  0.516445  1
  P  P119  1  0.772848  0.500760  0.664839  1
  P  P120  1  0.368092  0.518375  0.658791  1
  P  P121  1  0.531015  0.330791  0.574746  1
  P  P122  1  0.836901  0.448701  0.710939  1
  P  P123  1  0.132612  0.948701  0.710939  1
  P  P124  1  0.172971  0.838090  0.524859  1
  P  P125  1  0.525779  0.386198  0.622002  1
  P  P126  1  0.852935  0.899567  0.614443  1
  P  P127  1  0.005333  0.264339  0.628099  1
  P  P128  1  0.796542  0.338090  0.524859  1
  P  P129  1  0.179727  0.948070  0.618490  1
  P  P130  1  0.601421  0.018375  0.658791  1
  P  P131  1  0.176334  0.893515  0.571622  1
  P  P132  1  0.381817  0.405957  0.563789  1
  P  P133  1  0.662176  0.072621  0.612885  1
  P  P134  1  0.453694  0.940132  0.668005  1
  P  P135  1  0.117641  0.837789  0.617077  1
  P  P136  1  0.851872  0.337789  0.617077  1
  P  P137  1  0.843381  0.790460  0.519628  1
  P  P138  1  0.307337  0.572621  0.612885  1
  P  P139  1  0.576117  0.388035  0.713160  1
  P  P140  1  0.964180  0.764339  0.628099  1
  P  P141  1  0.386494  0.831131  0.668077  1
  P  P142  1  0.919552  0.010680  0.616088  1
  P  P143  1  0.438498  0.830791  0.574746  1
  P  P144  1  0.484911  0.989433  0.715090  1
  P  P145  1  0.063575  0.030602  0.557121  1
  P  P146  1  0.484602  0.489433  0.715090  1
  P  P147  1  0.577495  0.579886  0.562574  1
  P  P148  1  0.848010  0.392510  0.664802  1
  P  P149  1  0.856945  0.954719  0.662235  1
  P  P150  1  0.065006  0.084765  0.602216  1
  P  P151  1  0.373163  0.776757  0.621571  1
  P  P152  1  0.704751  0.825050  0.624812  1
  P  P153  1  0.121503  0.892510  0.664802  1
  P  P154  1  0.793179  0.393515  0.571622  1
  P  P155  1  0.977201  0.817786  0.674574  1
  P  P156  1  0.087025  0.511861  0.706654  1
  P  P157  1  0.326686  0.968556  0.560619  1
  P  P158  1  0.653182  0.018920  0.566034  1
  P  P159  1  0.583019  0.331131  0.668077  1
  P  P160  1  0.056520  0.456119  0.568812  1
  P  P161  1  0.255252  0.378726  0.672910  1
  P  P162  1  0.882488  0.011861  0.706654  1
  P  P163  1  0.116578  0.399567  0.614443  1
  P  P164  1  0.912993  0.956119  0.568812  1
  P  P165  1  0.264763  0.325050  0.624812  1
  P  P166  1  0.016170  0.564640  0.661213  1
  P  P167  1  0.728090  0.551626  0.708589  1
  P  P168  1  0.377678  0.462155  0.610998  1
