# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   33.90735666
_cell_length_b   141.72731301
_cell_length_c   47.57163661
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.48591356
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P504
_cell_volume   228601.96679
_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  0.094763  0.338869  0.319598  1
  P  P2  1  0.594763  0.338869  0.319598  1
  P  P3  1  0.097901  0.999453  0.347431  1
  P  P4  1  0.597901  0.999453  0.347431  1
  P  P5  1  0.169436  1.000988  0.301697  1
  P  P6  1  0.669436  1.000988  0.301697  1
  P  P7  1  0.261430  1.005536  0.319598  1
  P  P8  1  0.761430  1.005536  0.319598  1
  P  P9  1  0.086103  0.667655  0.301697  1
  P  P10  1  0.586103  0.667655  0.301697  1
  P  P11  1  0.178096  0.672203  0.319598  1
  P  P12  1  0.678096  0.672203  0.319598  1
  P  P13  1  0.181234  0.332787  0.347431  1
  P  P14  1  0.681234  0.332787  0.347431  1
  P  P15  1  0.252770  0.334321  0.301697  1
  P  P16  1  0.752770  0.334321  0.301697  1
  P  P17  1  0.344763  0.338869  0.319598  1
  P  P18  1  0.844763  0.338869  0.319598  1
  P  P19  1  0.347901  0.999453  0.347431  1
  P  P20  1  0.847901  0.999453  0.347431  1
  P  P21  1  0.419436  1.000988  0.301697  1
  P  P22  1  0.919436  1.000988  0.301697  1
  P  P23  1  0.511430  1.005536  0.319598  1
  P  P24  1  0.011430  1.005536  0.319598  1
  P  P25  1  0.264568  0.666120  0.347431  1
  P  P26  1  0.764568  0.666120  0.347431  1
  P  P27  1  0.336103  0.667655  0.301697  1
  P  P28  1  0.836103  0.667655  0.301697  1
  P  P29  1  0.428096  0.672203  0.319598  1
  P  P30  1  0.928096  0.672203  0.319598  1
  P  P31  1  0.431234  0.332787  0.347431  1
  P  P32  1  0.931234  0.332787  0.347431  1
  P  P33  1  0.502770  0.334321  0.301697  1
  P  P34  1  1.002770  0.334321  0.301697  1
  P  P35  1  0.514568  0.666120  0.347431  1
  P  P36  1  0.014568  0.666120  0.347431  1
  P  P37  1  0.097262  0.016112  0.301603  1
  P  P38  1  0.597262  0.016112  0.301603  1
  P  P39  1  0.106378  0.688670  0.319726  1
  P  P40  1  0.606378  0.688670  0.319726  1
  P  P41  1  0.197025  0.692944  0.339762  1
  P  P42  1  0.697025  0.692944  0.339762  1
  P  P43  1  0.263929  0.682779  0.301603  1
  P  P44  1  0.763929  0.682779  0.301603  1
  P  P45  1  0.113691  0.359611  0.339762  1
  P  P46  1  0.613691  0.359611  0.339762  1
  P  P47  1  0.180596  0.349446  0.301603  1
  P  P48  1  0.680596  0.349446  0.301603  1
  P  P49  1  0.189711  0.022003  0.319726  1
  P  P50  1  0.689711  0.022003  0.319726  1
  P  P51  1  0.280358  0.026277  0.339762  1
  P  P52  1  0.780358  0.026277  0.339762  1
  P  P53  1  0.347262  0.016112  0.301603  1
  P  P54  1  0.847262  0.016112  0.301603  1
  P  P55  1  0.356378  0.688670  0.319726  1
  P  P56  1  0.856378  0.688670  0.319726  1
  P  P57  1  0.447025  0.692944  0.339762  1
  P  P58  1  0.947025  0.692944  0.339762  1
  P  P59  1  0.513929  0.682779  0.301603  1
  P  P60  1  0.013929  0.682779  0.301603  1
  P  P61  1  0.273044  0.355336  0.319726  1
  P  P62  1  0.773044  0.355336  0.319726  1
  P  P63  1  0.363691  0.359611  0.339762  1
  P  P64  1  0.863691  0.359611  0.339762  1
  P  P65  1  0.430596  0.349446  0.301603  1
  P  P66  1  0.930596  0.349446  0.301603  1
  P  P67  1  0.439711  0.022003  0.319726  1
  P  P68  1  0.939711  0.022003  0.319726  1
  P  P69  1  0.530358  0.026277  0.339762  1
  P  P70  1  0.030358  0.026277  0.339762  1
  P  P71  1  0.523044  0.355336  0.319726  1
  P  P72  1  0.023044  0.355336  0.319726  1
  P  P73  1  0.095705  0.322488  0.367270  1
  P  P74  1  0.595705  0.322488  0.367270  1
  P  P75  1  0.099439  0.983156  0.394685  1
  P  P76  1  0.599439  0.983156  0.394685  1
  P  P77  1  0.171271  0.984484  0.348088  1
  P  P78  1  0.671271  0.984484  0.348088  1
  P  P79  1  0.262372  0.989155  0.367270  1
  P  P80  1  0.762372  0.989155  0.367270  1
  P  P81  1  0.087937  0.651151  0.348088  1
  P  P82  1  0.587937  0.651151  0.348088  1
  P  P83  1  0.179038  0.655822  0.367270  1
  P  P84  1  0.679038  0.655822  0.367270  1
  P  P85  1  0.182772  0.316490  0.394685  1
  P  P86  1  0.682772  0.316490  0.394685  1
  P  P87  1  0.254604  0.317817  0.348088  1
  P  P88  1  0.754604  0.317817  0.348088  1
  P  P89  1  0.345705  0.322488  0.367270  1
  P  P90  1  0.845705  0.322488  0.367270  1
  P  P91  1  0.349439  0.983156  0.394685  1
  P  P92  1  0.849439  0.983156  0.394685  1
  P  P93  1  0.421271  0.984484  0.348088  1
  P  P94  1  0.921271  0.984484  0.348088  1
  P  P95  1  0.512372  0.989155  0.367270  1
  P  P96  1  0.012372  0.989155  0.367270  1
  P  P97  1  0.266106  0.649823  0.394685  1
  P  P98  1  0.766106  0.649823  0.394685  1
  P  P99  1  0.337937  0.651151  0.348088  1
  P  P100  1  0.837937  0.651151  0.348088  1
  P  P101  1  0.429038  0.655822  0.367270  1
  P  P102  1  0.929038  0.655822  0.367270  1
  P  P103  1  0.432772  0.316490  0.394685  1
  P  P104  1  0.932772  0.316490  0.394685  1
  P  P105  1  0.504604  0.317817  0.348088  1
  P  P106  1  1.004604  0.317817  0.348088  1
  P  P107  1  0.516106  0.649823  0.394685  1
  P  P108  1  0.016106  0.649823  0.394685  1
  P  P109  1  0.117341  0.021104  0.365265  1
  P  P110  1  0.617341  0.021104  0.365265  1
  P  P111  1  0.108650  0.672550  0.367327  1
  P  P112  1  0.608650  0.672550  0.367327  1
  P  P113  1  0.201057  0.677027  0.387497  1
  P  P114  1  0.701057  0.677027  0.387497  1
  P  P115  1  0.284007  0.687770  0.365265  1
  P  P116  1  0.784007  0.687770  0.365265  1
  P  P117  1  0.117724  0.343693  0.387497  1
  P  P118  1  0.617724  0.343693  0.387497  1
  P  P119  1  0.200674  0.354437  0.365265  1
  P  P120  1  0.700674  0.354437  0.365265  1
  P  P121  1  0.191984  1.005883  0.367327  1
  P  P122  1  0.691984  1.005883  0.367327  1
  P  P123  1  0.284390  1.010360  0.387497  1
  P  P124  1  0.784390  1.010360  0.387497  1
  P  P125  1  0.367341  0.021104  0.365265  1
  P  P126  1  0.867341  0.021104  0.365265  1
  P  P127  1  0.358650  0.672550  0.367327  1
  P  P128  1  0.858650  0.672550  0.367327  1
  P  P129  1  0.451057  0.677027  0.387497  1
  P  P130  1  0.951057  0.677027  0.387497  1
  P  P131  1  0.534007  0.687770  0.365265  1
  P  P132  1  0.034007  0.687770  0.365265  1
  P  P133  1  0.275317  0.339216  0.367327  1
  P  P134  1  0.775317  0.339216  0.367327  1
  P  P135  1  0.367724  0.343693  0.387497  1
  P  P136  1  0.867724  0.343693  0.387497  1
  P  P137  1  0.450674  0.354437  0.365265  1
  P  P138  1  0.950674  0.354437  0.365265  1
  P  P139  1  0.441984  1.005883  0.367327  1
  P  P140  1  0.941984  1.005883  0.367327  1
  P  P141  1  0.534390  1.010360  0.387497  1
  P  P142  1  0.034390  1.010360  0.387497  1
  P  P143  1  0.525317  0.339216  0.367327  1
  P  P144  1  0.025317  0.339216  0.367327  1
  P  P145  1  0.115722  0.326133  0.433528  1
  P  P146  1  0.615722  0.326133  0.433528  1
  P  P147  1  0.119635  0.989112  0.461503  1
  P  P148  1  0.619635  0.989112  0.461503  1
  P  P149  1  0.190099  0.988284  0.413572  1
  P  P150  1  0.690099  0.988284  0.413572  1
  P  P151  1  0.282389  0.992800  0.433528  1
  P  P152  1  0.782389  0.992800  0.433528  1
  P  P153  1  0.106765  0.654950  0.413572  1
  P  P154  1  0.606765  0.654950  0.413572  1
  P  P155  1  0.199055  0.659467  0.433528  1
  P  P156  1  0.699055  0.659467  0.433528  1
  P  P157  1  0.202968  0.322446  0.461503  1
  P  P158  1  0.702968  0.322446  0.461503  1
  P  P159  1  0.273432  0.321617  0.413572  1
  P  P160  1  0.773432  0.321617  0.413572  1
  P  P161  1  0.365722  0.326133  0.433528  1
  P  P162  1  0.865722  0.326133  0.433528  1
  P  P163  1  0.369635  0.989112  0.461503  1
  P  P164  1  0.869635  0.989112  0.461503  1
  P  P165  1  0.440099  0.988284  0.413572  1
  P  P166  1  0.940099  0.988284  0.413572  1
  P  P167  1  0.532389  0.992800  0.433528  1
  P  P168  1  0.032389  0.992800  0.433528  1
  P  P169  1  0.286302  0.655779  0.461503  1
  P  P170  1  0.786302  0.655779  0.461503  1
  P  P171  1  0.356765  0.654950  0.413572  1
  P  P172  1  0.856765  0.654950  0.413572  1
  P  P173  1  0.449055  0.659467  0.433528  1
  P  P174  1  0.949055  0.659467  0.433528  1
  P  P175  1  0.452968  0.322446  0.461503  1
  P  P176  1  0.952968  0.322446  0.461503  1
  P  P177  1  0.523432  0.321617  0.413572  1
  P  P178  1  0.023432  0.321617  0.413572  1
  P  P179  1  0.536302  0.655779  0.461503  1
  P  P180  1  0.036302  0.655779  0.461503  1
  P  P181  1  0.120120  1.004699  0.413514  1
  P  P182  1  0.620120  1.004699  0.413514  1
  P  P183  1  0.130285  0.675989  0.434365  1
  P  P184  1  0.630285  0.675989  0.434365  1
  P  P185  1  0.219997  0.679954  0.456995  1
  P  P186  1  0.719997  0.679954  0.456995  1
  P  P187  1  0.286787  0.671365  0.413514  1
  P  P188  1  0.786787  0.671365  0.413514  1
  P  P189  1  0.136664  0.346620  0.456995  1
  P  P190  1  0.636664  0.346620  0.456995  1
  P  P191  1  0.203454  0.338032  0.413514  1
  P  P192  1  0.703454  0.338032  0.413514  1
  P  P193  1  0.213619  1.009322  0.434365  1
  P  P194  1  0.713619  1.009322  0.434365  1
  P  P195  1  0.303330  0.013287  0.456995  1
  P  P196  1  0.803330  0.013287  0.456995  1
  P  P197  1  0.370120  1.004699  0.413514  1
  P  P198  1  0.870120  1.004699  0.413514  1
  P  P199  1  0.380285  0.675989  0.434365  1
  P  P200  1  0.880285  0.675989  0.434365  1
  P  P201  1  0.469997  0.679954  0.456995  1
  P  P202  1  0.969997  0.679954  0.456995  1
  P  P203  1  0.536787  0.671365  0.413514  1
  P  P204  1  0.036787  0.671365  0.413514  1
  P  P205  1  0.296952  0.342656  0.434365  1
  P  P206  1  0.796952  0.342656  0.434365  1
  P  P207  1  0.386664  0.346620  0.456995  1
  P  P208  1  0.886664  0.346620  0.456995  1
  P  P209  1  0.453454  0.338032  0.413514  1
  P  P210  1  0.953454  0.338032  0.413514  1
  P  P211  1  0.463619  1.009322  0.434365  1
  P  P212  1  0.963619  1.009322  0.434365  1
  P  P213  1  0.553330  0.013287  0.456995  1
  P  P214  1  0.053330  0.013287  0.456995  1
  P  P215  1  0.546952  0.342656  0.434365  1
  P  P216  1  0.046952  0.342656  0.434365  1
  P  P217  1  0.133661  0.329011  0.502272  1
  P  P218  1  0.633661  0.329011  0.502272  1
  P  P219  1  0.140711  0.996897  0.527596  1
  P  P220  1  0.640711  0.996897  0.527596  1
  P  P221  1  0.209513  0.992195  0.480396  1
  P  P222  1  0.709513  0.992195  0.480396  1
  P  P223  1  0.300327  0.995678  0.502272  1
  P  P224  1  0.800327  0.995678  0.502272  1
  P  P225  1  0.126180  0.658862  0.480396  1
  P  P226  1  0.626180  0.658862  0.480396  1
  P  P227  1  0.216994  0.662345  0.502272  1
  P  P228  1  0.716994  0.662345  0.502272  1
  P  P229  1  0.224044  0.330230  0.527596  1
  P  P230  1  0.724044  0.330230  0.527596  1
  P  P231  1  0.292846  0.325529  0.480396  1
  P  P232  1  0.792846  0.325529  0.480396  1
  P  P233  1  0.383661  0.329011  0.502272  1
  P  P234  1  0.883661  0.329011  0.502272  1
  P  P235  1  0.390711  0.996897  0.527596  1
  P  P236  1  0.890711  0.996897  0.527596  1
  P  P237  1  0.459513  0.992195  0.480396  1
  P  P238  1  0.959513  0.992195  0.480396  1
  P  P239  1  0.550327  0.995678  0.502272  1
  P  P240  1  0.050327  0.995678  0.502272  1
  P  P241  1  0.307378  0.663563  0.527596  1
  P  P242  1  0.807378  0.663563  0.527596  1
  P  P243  1  0.376180  0.658862  0.480396  1
  P  P244  1  0.876180  0.658862  0.480396  1
  P  P245  1  0.466994  0.662345  0.502272  1
  P  P246  1  0.966994  0.662345  0.502272  1
  P  P247  1  0.474044  0.330230  0.527596  1
  P  P248  1  0.974044  0.330230  0.527596  1
  P  P249  1  0.542846  0.325529  0.480396  1
  P  P250  1  0.042846  0.325529  0.480396  1
  P  P251  1  0.557378  0.663563  0.527596  1
  P  P252  1  0.057378  0.663563  0.527596  1
  P  P253  1  0.142482  1.011218  0.478402  1
  P  P254  1  0.642482  1.011218  0.478402  1
  P  P255  1  0.149532  0.679103  0.503726  1
  P  P256  1  0.649532  0.679103  0.503726  1
  P  P257  1  0.240347  0.682586  0.525602  1
  P  P258  1  0.740347  0.682586  0.525602  1
  P  P259  1  0.309149  0.677884  0.478402  1
  P  P260  1  0.809149  0.677884  0.478402  1
  P  P261  1  0.157014  0.349252  0.525602  1
  P  P262  1  0.657014  0.349252  0.525602  1
  P  P263  1  0.225815  0.344551  0.478402  1
  P  P264  1  0.725815  0.344551  0.478402  1
  P  P265  1  0.232866  0.012436  0.503726  1
  P  P266  1  0.732866  0.012436  0.503726  1
  P  P267  1  0.323680  0.015919  0.525602  1
  P  P268  1  0.823680  0.015919  0.525602  1
  P  P269  1  0.392482  1.011218  0.478402  1
  P  P270  1  0.892482  1.011218  0.478402  1
  P  P271  1  0.399532  0.679103  0.503726  1
  P  P272  1  0.899532  0.679103  0.503726  1
  P  P273  1  0.490347  0.682586  0.525602  1
  P  P274  1  0.990347  0.682586  0.525602  1
  P  P275  1  0.559149  0.677884  0.478402  1
  P  P276  1  0.059149  0.677884  0.478402  1
  P  P277  1  0.316199  0.345770  0.503726  1
  P  P278  1  0.816199  0.345770  0.503726  1
  P  P279  1  0.407014  0.349252  0.525602  1
  P  P280  1  0.907014  0.349252  0.525602  1
  P  P281  1  0.475815  0.344551  0.478402  1
  P  P282  1  0.975815  0.344551  0.478402  1
  P  P283  1  0.482866  0.012436  0.503726  1
  P  P284  1  0.982866  0.012436  0.503726  1
  P  P285  1  0.573680  0.015919  0.525602  1
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