# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   64.77568989
_cell_length_b   61.91865097
_cell_length_c   52.16613320
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   106.16425175
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P864
_cell_volume   200957.807397
_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  0.669317  0.661044  0.396973  1
  P  P2  1  0.546974  0.621556  0.463639  1
  P  P3  1  0.291661  0.700531  0.330306  1
  P  P4  1  0.335984  0.327710  0.396973  1
  P  P5  1  0.169317  0.661044  0.396973  1
  P  P6  1  0.213640  0.288223  0.463639  1
  P  P7  1  0.958328  0.367197  0.330306  1
  P  P8  1  0.046974  0.621556  0.463639  1
  P  P9  1  0.002651  0.994377  0.396973  1
  P  P10  1  0.791661  0.700531  0.330306  1
  P  P11  1  0.835984  0.327710  0.396973  1
  P  P12  1  0.880307  0.954890  0.463639  1
  P  P13  1  0.624995  0.033864  0.330306  1
  P  P14  1  0.713640  0.288223  0.463639  1
  P  P15  1  0.458328  0.367197  0.330306  1
  P  P16  1  0.502651  0.994377  0.396973  1
  P  P17  1  0.380307  0.954890  0.463639  1
  P  P18  1  0.124995  0.033864  0.330306  1
  P  P19  1  0.653819  0.572902  0.337208  1
  P  P20  1  0.531724  0.534085  0.404098  1
  P  P21  1  0.409380  0.494598  0.470764  1
  P  P22  1  0.320486  0.239568  0.337208  1
  P  P23  1  0.153819  0.572902  0.337208  1
  P  P24  1  0.198391  0.200752  0.404098  1
  P  P25  1  0.076047  0.161265  0.470764  1
  P  P26  1  0.031724  0.534085  0.404098  1
  P  P27  1  0.987152  0.906235  0.337208  1
  P  P28  1  0.909380  0.494598  0.470764  1
  P  P29  1  0.820486  0.239568  0.337208  1
  P  P30  1  0.865057  0.867419  0.404098  1
  P  P31  1  0.742713  0.827932  0.470764  1
  P  P32  1  0.698391  0.200752  0.404098  1
  P  P33  1  0.576047  0.161265  0.470764  1
  P  P34  1  0.487152  0.906235  0.337208  1
  P  P35  1  0.365057  0.867419  0.404098  1
  P  P36  1  0.242713  0.827932  0.470764  1
  P  P37  1  0.701770  0.708712  0.388854  1
  P  P38  1  0.579427  0.669225  0.455521  1
  P  P39  1  0.324114  0.748199  0.322187  1
  P  P40  1  0.368437  0.375378  0.388854  1
  P  P41  1  0.201770  0.708712  0.388854  1
  P  P42  1  0.246093  0.335891  0.455521  1
  P  P43  1  0.990781  0.414866  0.322187  1
  P  P44  1  0.079427  0.669225  0.455521  1
  P  P45  1  0.035104  0.042045  0.388854  1
  P  P46  1  0.824114  0.748199  0.322187  1
  P  P47  1  0.868437  0.375378  0.388854  1
  P  P48  1  0.912760  0.002558  0.455521  1
  P  P49  1  0.657448  0.081532  0.322187  1
  P  P50  1  0.746093  0.335891  0.455521  1
  P  P51  1  0.490781  0.414866  0.322187  1
  P  P52  1  0.535104  0.042045  0.388854  1
  P  P53  1  0.412760  0.002558  0.455521  1
  P  P54  1  0.157448  0.081532  0.322187  1
  P  P55  1  0.622116  0.526338  0.345137  1
  P  P56  1  0.499271  0.486417  0.412216  1
  P  P57  1  0.376927  0.446930  0.478883  1
  P  P58  1  0.288782  0.193005  0.345137  1
  P  P59  1  0.122116  0.526338  0.345137  1
  P  P60  1  0.165938  0.153084  0.412216  1
  P  P61  1  0.043594  0.113597  0.478883  1
  P  P62  1  0.999271  0.486417  0.412216  1
  P  P63  1  0.955449  0.859671  0.345137  1
  P  P64  1  0.876927  0.446930  0.478883  1
  P  P65  1  0.788782  0.193005  0.345137  1
  P  P66  1  0.832604  0.819751  0.412216  1
  P  P67  1  0.710261  0.780263  0.478883  1
  P  P68  1  0.665938  0.153084  0.412216  1
  P  P69  1  0.543594  0.113597  0.478883  1
  P  P70  1  0.455449  0.859671  0.345137  1
  P  P71  1  0.332604  0.819751  0.412216  1
  P  P72  1  0.210261  0.780263  0.478883  1
  P  P73  1  0.706699  0.679459  0.436396  1
  P  P74  1  0.451349  0.758453  0.303038  1
  P  P75  1  0.329043  0.718946  0.369729  1
  P  P76  1  0.373366  0.346125  0.436396  1
  P  P77  1  0.206699  0.679459  0.436396  1
  P  P78  1  0.118016  0.425119  0.303038  1
  P  P79  1  0.995709  0.385612  0.369729  1
  P  P80  1  0.951349  0.758453  0.303038  1
  P  P81  1  0.040032  0.012792  0.436396  1
  P  P82  1  0.829043  0.718946  0.369729  1
  P  P83  1  0.873366  0.346125  0.436396  1
  P  P84  1  0.784683  0.091786  0.303038  1
  P  P85  1  0.662376  0.052279  0.369729  1
  P  P86  1  0.618016  0.425119  0.303038  1
  P  P87  1  0.495709  0.385612  0.369729  1
  P  P88  1  0.540032  0.012792  0.436396  1
  P  P89  1  0.284683  0.091786  0.303038  1
  P  P90  1  0.162376  0.052279  0.369729  1
  P  P91  1  0.749655  0.436696  0.498008  1
  P  P92  1  0.494342  0.515670  0.364675  1
  P  P93  1  0.371999  0.476183  0.431341  1
  P  P94  1  0.416322  0.103363  0.498008  1
  P  P95  1  0.249655  0.436696  0.498008  1
  P  P96  1  0.161009  0.182337  0.364675  1
  P  P97  1  0.038665  0.142850  0.431341  1
  P  P98  1  0.994342  0.515670  0.364675  1
  P  P99  1  0.082988  0.770030  0.498008  1
  P  P100  1  0.871999  0.476183  0.431341  1
  P  P101  1  0.916322  0.103363  0.498008  1
  P  P102  1  0.827676  0.849004  0.364675  1
  P  P103  1  0.705332  0.809517  0.431341  1
  P  P104  1  0.661009  0.182337  0.364675  1
  P  P105  1  0.538665  0.142850  0.431341  1
  P  P106  1  0.582988  0.770030  0.498008  1
  P  P107  1  0.327676  0.849004  0.364675  1
  P  P108  1  0.205332  0.809517  0.431341  1
  P  P109  1  0.668152  0.700869  0.433672  1
  P  P110  1  0.545808  0.661382  0.500339  1
  P  P111  1  0.290495  0.740356  0.367005  1
  P  P112  1  0.334818  0.367536  0.433672  1
  P  P113  1  0.168152  0.700869  0.433672  1
  P  P114  1  0.212474  0.328049  0.500339  1
  P  P115  1  0.957162  0.407023  0.367005  1
  P  P116  1  0.045808  0.661382  0.500339  1
  P  P117  1  0.001485  0.034202  0.433672  1
  P  P118  1  0.790495  0.740356  0.367005  1
  P  P119  1  0.834818  0.367536  0.433672  1
  P  P120  1  0.879141  0.994715  0.500339  1
  P  P121  1  0.623829  0.073690  0.367005  1
  P  P122  1  0.712474  0.328049  0.500339  1
  P  P123  1  0.457162  0.407023  0.367005  1
  P  P124  1  0.501485  0.034202  0.433672  1
  P  P125  1  0.379141  0.994715  0.500339  1
  P  P126  1  0.123829  0.073690  0.367005  1
  P  P127  1  0.654944  0.534004  0.301344  1
  P  P128  1  0.532890  0.494260  0.367398  1
  P  P129  1  0.410546  0.454773  0.434065  1
  P  P130  1  0.321611  0.200671  0.301344  1
  P  P131  1  0.154944  0.534004  0.301344  1
  P  P132  1  0.199557  0.160927  0.367398  1
  P  P133  1  0.077213  0.121439  0.434065  1
  P  P134  1  0.032890  0.494260  0.367398  1
  P  P135  1  0.988278  0.867337  0.301344  1
  P  P136  1  0.910546  0.454773  0.434065  1
  P  P137  1  0.821611  0.200671  0.301344  1
  P  P138  1  0.866223  0.827593  0.367398  1
  P  P139  1  0.743879  0.788106  0.434065  1
  P  P140  1  0.699557  0.160927  0.367398  1
  P  P141  1  0.577213  0.121439  0.434065  1
  P  P142  1  0.488278  0.867337  0.301344  1
  P  P143  1  0.366223  0.827593  0.367398  1
  P  P144  1  0.243879  0.788106  0.434065  1
  P  P145  1  0.744324  0.597192  0.433450  1
  P  P146  1  0.621981  0.557705  0.500117  1
  P  P147  1  0.366668  0.636679  0.366783  1
  P  P148  1  0.410991  0.263859  0.433450  1
  P  P149  1  0.244324  0.597192  0.433450  1
  P  P150  1  0.288647  0.224372  0.500117  1
  P  P151  1  0.033335  0.303346  0.366783  1
  P  P152  1  0.121981  0.557705  0.500117  1
  P  P153  1  0.077658  0.930526  0.433450  1
  P  P154  1  0.866668  0.636679  0.366783  1
  P  P155  1  0.910991  0.263859  0.433450  1
  P  P156  1  0.955314  0.891038  0.500117  1
  P  P157  1  0.700001  0.970013  0.366783  1
  P  P158  1  0.788647  0.224372  0.500117  1
  P  P159  1  0.533335  0.303346  0.366783  1
  P  P160  1  0.577658  0.930526  0.433450  1
  P  P161  1  0.455314  0.891038  0.500117  1
  P  P162  1  0.200001  0.970013  0.366783  1
  P  P163  1  0.579061  0.637424  0.300954  1
  P  P164  1  0.456717  0.597937  0.367620  1
  P  P165  1  0.334373  0.558450  0.434287  1
  P  P166  1  0.245727  0.304091  0.300954  1
  P  P167  1  0.079061  0.637424  0.300954  1
  P  P168  1  0.123384  0.264603  0.367620  1
  P  P169  1  1.001040  0.225116  0.434287  1
  P  P170  1  0.956717  0.597937  0.367620  1
  P  P171  1  0.912394  0.970757  0.300954  1
  P  P172  1  0.834373  0.558450  0.434287  1
  P  P173  1  0.745727  0.304091  0.300954  1
  P  P174  1  0.790050  0.931270  0.367620  1
  P  P175  1  0.667707  0.891783  0.434287  1
  P  P176  1  0.623384  0.264603  0.367620  1
  P  P177  1  0.501040  0.225116  0.434287  1
  P  P178  1  0.412394  0.970757  0.300954  1
  P  P179  1  0.290050  0.931270  0.367620  1
  P  P180  1  0.167707  0.891783  0.434287  1
  P  P181  1  0.738889  0.620382  0.381345  1
  P  P182  1  0.616545  0.580895  0.448011  1
  P  P183  1  0.361233  0.659869  0.314678  1
  P  P184  1  0.405556  0.287049  0.381345  1
  P  P185  1  0.238889  0.620382  0.381345  1
  P  P186  1  0.283212  0.247562  0.448011  1
  P  P187  1  0.027899  0.326536  0.314678  1
  P  P188  1  0.116545  0.580895  0.448011  1
  P  P189  1  0.072222  0.953715  0.381345  1
  P  P190  1  0.861233  0.659869  0.314678  1
  P  P191  1  0.905556  0.287049  0.381345  1
  P  P192  1  0.949878  0.914228  0.448011  1
  P  P193  1  0.694566  0.993203  0.314678  1
  P  P194  1  0.783212  0.247562  0.448011  1
  P  P195  1  0.527899  0.326536  0.314678  1
  P  P196  1  0.572222  0.953715  0.381345  1
  P  P197  1  0.449878  0.914228  0.448011  1
  P  P198  1  0.194566  0.993203  0.314678  1
  P  P199  1  0.584496  0.614234  0.353059  1
  P  P200  1  0.462152  0.574747  0.419726  1
  P  P201  1  0.339809  0.535260  0.486392  1
  P  P202  1  0.251163  0.280901  0.353059  1
  P  P203  1  0.084496  0.614234  0.353059  1
  P  P204  1  0.128819  0.241414  0.419726  1
  P  P205  1  0.006475  0.201926  0.486392  1
  P  P206  1  0.962152  0.574747  0.419726  1
  P  P207  1  0.917830  0.947567  0.353059  1
  P  P208  1  0.839809  0.535260  0.486392  1
  P  P209  1  0.751163  0.280901  0.353059  1
  P  P210  1  0.795486  0.908080  0.419726  1
  P  P211  1  0.673142  0.868593  0.486392  1
  P  P212  1  0.628819  0.241414  0.419726  1
  P  P213  1  0.506475  0.201926  0.486392  1
  P  P214  1  0.417830  0.947567  0.353059  1
  P  P215  1  0.295486  0.908080  0.419726  1
  P  P216  1  0.173142  0.868593  0.486392  1
  P  P217  1  0.776931  0.643226  0.418333  1
  P  P218  1  0.654587  0.603739  0.485000  1
  P  P219  1  0.399275  0.682713  0.351666  1
  P  P220  1  0.443598  0.309893  0.418333  1
  P  P221  1  0.276931  0.643226  0.418333  1
  P  P222  1  0.321254  0.270406  0.485000  1
  P  P223  1  0.065941  0.349380  0.351666  1
  P  P224  1  0.154587  0.603739  0.485000  1
  P  P225  1  0.110264  0.976560  0.418333  1
  P  P226  1  0.899275  0.682713  0.351666  1
  P  P227  1  0.943598  0.309893  0.418333  1
  P  P228  1  0.987921  0.937072  0.485000  1
  P  P229  1  0.732608  0.016047  0.351666  1
  P  P230  1  0.821254  0.270406  0.485000  1
  P  P231  1  0.565941  0.349380  0.351666  1
  P  P232  1  0.610264  0.976560  0.418333  1
  P  P233  1  0.487921  0.937072  0.485000  1
  P  P234  1  0.232608  0.016047  0.351666  1
  P  P235  1  0.546454  0.591390  0.316071  1
  P  P236  1  0.424110  0.551903  0.382737  1
  P  P237  1  0.301767  0.512416  0.449404  1
  P  P238  1  0.213121  0.258057  0.316071  1
  P  P239  1  0.046454  0.591390  0.316071  1
  P  P240  1  0.090777  0.218569  0.382737  1
  P  P241  1  0.968433  0.179082  0.449404  1
  P  P242  1  0.924110  0.551903  0.382737  1
  P  P243  1  0.879788  0.924723  0.316071  1
  P  P244  1  0.801767  0.512416  0.449404  1
  P  P245  1  0.713121  0.258057  0.316071  1
  P  P246  1  0.757444  0.885236  0.382737  1
  P  P247  1  0.635100  0.845749  0.449404  1
  P  P248  1  0.590777  0.218569  0.382737  1
  P  P249  1  0.468433  0.179082  0.449404  1
  P  P250  1  0.379788  0.924723  0.316071  1
  P  P251  1  0.257444  0.885236  0.382737  1
  P  P252  1  0.135100  0.845749  0.449404  1
  P  P253  1  0.654883  0.559686  0.455391  1
  P  P254  1  0.399570  0.638661  0.322057  1
  P  P255  1  0.277226  0.599173  0.388724  1
  P  P256  1  0.321549  0.226353  0.455391  1
  P  P257  1  0.154883  0.559686  0.455391  1
  P  P258  1  0.066237  0.305327  0.322057  1
  P  P259  1  0.943893  0.265840  0.388724  1
  P  P260  1  0.899570  0.638661  0.322057  1
  P  P261  1  0.988216  0.893020  0.455391  1
  P  P262  1  0.777226  0.599173  0.388724  1
  P  P263  1  0.821549  0.226353  0.455391  1
  P  P264  1  0.732904  0.971994  0.322057  1
  P  P265  1  0.610560  0.932507  0.388724  1
  P  P266  1  0.566237  0.305327  0.322057  1
  P  P267  1  0.443893  0.265840  0.388724  1
  P  P268  1  0.488216  0.893020  0.455391  1
  P  P269  1  0.232904  0.971994  0.322057  1
  P  P270  1  0.110560  0.932507  0.388724  1
  P  P271  1  0.801471  0.556468  0.479013  1
  P  P272  1  0.546159  0.635443  0.345680  1
  P  P273  1  0.423815  0.595956  0.412346  1
  P  P274  1  0.468138  0.223135  0.479013  1
  P  P275  1  0.301471  0.556468  0.479013  1
  P  P276  1  0.212825  0.302109  0.345680  1
  P  P277  1  0.090482  0.262622  0.412346  1
  P  P278  1  0.046159  0.635443  0.345680  1
  P  P279  1  0.134804  0.889802  0.479013  1
  P  P280  1  0.923815  0.595956  0.412346  1
  P  P281  1  0.968138  0.223135  0.479013  1
  P  P282  1  0.879492  0.968776  0.345680  1
  P  P283  1  0.757148  0.929289  0.412346  1
  P  P284  1  0.712825  0.302109  0.345680  1
  P  P285  1  0.590482  0.262622  0.412346  1
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