# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   39.45493104
_cell_length_b   55.09545611
_cell_length_c   56.16254709
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.79512322
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P576
_cell_volume   120154.111708
_cell_formula_units_Z   576
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  0.389982  0.717549  0.374278  1
  P  P2  1  0.889982  0.717549  0.374278  1
  P  P3  1  0.425889  0.068620  0.337241  1
  P  P4  1  0.461795  0.419691  0.300204  1
  P  P5  1  0.925889  0.068620  0.337241  1
  P  P6  1  0.961795  0.419691  0.300204  1
  P  P7  1  0.430808  0.615946  0.330396  1
  P  P8  1  0.930808  0.615946  0.330396  1
  P  P9  1  0.466843  0.965173  0.294042  1
  P  P10  1  0.394902  0.264875  0.367433  1
  P  P11  1  0.966843  0.965173  0.294042  1
  P  P12  1  0.894902  0.264875  0.367433  1
  P  P13  1  0.385362  0.770708  0.352960  1
  P  P14  1  0.885362  0.770708  0.352960  1
  P  P15  1  0.421269  0.121779  0.315923  1
  P  P16  1  0.457175  0.472850  0.278886  1
  P  P17  1  0.921269  0.121779  0.315923  1
  P  P18  1  0.957175  0.472850  0.278886  1
  P  P19  1  0.435428  0.562787  0.351714  1
  P  P20  1  0.935428  0.562787  0.351714  1
  P  P21  1  0.471147  0.915650  0.313959  1
  P  P22  1  0.399522  0.211716  0.388751  1
  P  P23  1  0.971147  0.915650  0.313959  1
  P  P24  1  0.899522  0.211716  0.388751  1
  P  P25  1  0.546686  0.804889  0.280583  1
  P  P26  1  0.046686  0.804889  0.280583  1
  P  P27  1  0.477558  0.102340  0.354190  1
  P  P28  1  0.513464  0.453410  0.317153  1
  P  P29  1  0.977558  0.102340  0.354190  1
  P  P30  1  0.013464  0.453410  0.317153  1
  P  P31  1  0.379139  0.582226  0.313447  1
  P  P32  1  0.879139  0.582226  0.313447  1
  P  P33  1  0.307326  0.880085  0.387521  1
  P  P34  1  0.343233  0.231155  0.350484  1
  P  P35  1  0.807326  0.880085  0.387521  1
  P  P36  1  0.843233  0.231155  0.350484  1
  P  P37  1  0.474138  0.816737  0.294414  1
  P  P38  1  0.974138  0.816737  0.294414  1
  P  P39  1  0.399701  0.115055  0.368989  1
  P  P40  1  0.435607  0.466126  0.331952  1
  P  P41  1  0.899701  0.115055  0.368989  1
  P  P42  1  0.935607  0.466126  0.331952  1
  P  P43  1  0.456996  0.569511  0.298647  1
  P  P44  1  0.956996  0.569511  0.298647  1
  P  P45  1  0.385184  0.867369  0.372721  1
  P  P46  1  0.421090  0.218440  0.335684  1
  P  P47  1  0.885184  0.867369  0.372721  1
  P  P48  1  0.921090  0.218440  0.335684  1
  P  P49  1  0.576445  0.676438  0.371983  1
  P  P50  1  0.076445  0.676438  0.371983  1
  P  P51  1  0.612351  0.027509  0.334946  1
  P  P52  1  0.648226  0.378641  0.297879  1
  P  P53  1  0.112351  0.027509  0.334946  1
  P  P54  1  0.148226  0.378641  0.297879  1
  P  P55  1  0.244346  0.657057  0.332691  1
  P  P56  1  0.744346  0.657057  0.332691  1
  P  P57  1  0.280252  0.008127  0.295654  1
  P  P58  1  0.208439  0.305986  0.369728  1
  P  P59  1  0.780252  0.008127  0.295654  1
  P  P60  1  0.708439  0.305986  0.369728  1
  P  P61  1  0.523590  0.688852  0.330058  1
  P  P62  1  0.023590  0.688852  0.330058  1
  P  P63  1  0.559496  0.039922  0.293021  1
  P  P64  1  0.487684  0.337781  0.367095  1
  P  P65  1  0.059496  0.039922  0.293021  1
  P  P66  1  0.987684  0.337781  0.367095  1
  P  P67  1  0.297201  0.644643  0.374616  1
  P  P68  1  0.797201  0.644643  0.374616  1
  P  P69  1  0.333107  0.995714  0.337579  1
  P  P70  1  0.368027  0.346602  0.300505  1
  P  P71  1  0.833107  0.995714  0.337579  1
  P  P72  1  0.868027  0.346602  0.300505  1
  P  P73  1  0.570750  0.726697  0.344641  1
  P  P74  1  0.070750  0.726697  0.344641  1
  P  P75  1  0.606656  0.077768  0.307604  1
  P  P76  1  0.534844  0.375626  0.381678  1
  P  P77  1  0.106656  0.077768  0.307604  1
  P  P78  1  0.034844  0.375626  0.381678  1
  P  P79  1  0.250041  0.606798  0.360033  1
  P  P80  1  0.750041  0.606798  0.360033  1
  P  P81  1  0.285947  0.957869  0.322995  1
  P  P82  1  0.321951  0.309650  0.286227  1
  P  P83  1  0.785947  0.957869  0.322995  1
  P  P84  1  0.821951  0.309650  0.286227  1
  P  P85  1  0.602895  0.677156  0.319313  1
  P  P86  1  0.102895  0.677156  0.319313  1
  P  P87  1  0.638802  0.028227  0.282276  1
  P  P88  1  0.566989  0.326086  0.356350  1
  P  P89  1  0.138802  0.028227  0.282276  1
  P  P90  1  0.066989  0.326086  0.356350  1
  P  P91  1  0.217895  0.656339  0.385361  1
  P  P92  1  0.717895  0.656339  0.385361  1
  P  P93  1  0.253802  0.007410  0.348324  1
  P  P94  1  0.290565  0.358014  0.311026  1
  P  P95  1  0.753802  0.007410  0.348324  1
  P  P96  1  0.790565  0.358014  0.311026  1
  P  P97  1  0.220779  0.806384  0.385091  1
  P  P98  1  0.720779  0.806384  0.385091  1
  P  P99  1  0.256685  0.157455  0.348054  1
  P  P100  1  0.293152  0.506733  0.310285  1
  P  P101  1  0.756685  0.157455  0.348054  1
  P  P102  1  0.793152  0.506733  0.310285  1
  P  P103  1  0.600012  0.527111  0.319583  1
  P  P104  1  0.100012  0.527111  0.319583  1
  P  P105  1  0.635918  0.878182  0.282546  1
  P  P106  1  0.564106  0.176040  0.356620  1
  P  P107  1  0.135918  0.878182  0.282546  1
  P  P108  1  0.064106  0.176040  0.356620  1
  P  P109  1  0.244072  0.799269  0.331720  1
  P  P110  1  0.744072  0.799269  0.331720  1
  P  P111  1  0.279978  0.150340  0.294683  1
  P  P112  1  0.208166  0.448198  0.368757  1
  P  P113  1  0.779978  0.150340  0.294683  1
  P  P114  1  0.708166  0.448198  0.368757  1
  P  P115  1  0.576719  0.534226  0.372954  1
  P  P116  1  0.076719  0.534226  0.372954  1
  P  P117  1  0.612625  0.885297  0.335917  1
  P  P118  1  0.650965  0.236741  0.298353  1
  P  P119  1  0.112625  0.885297  0.335917  1
  P  P120  1  0.150965  0.236741  0.298353  1
  P  P121  1  0.171463  0.789095  0.347297  1
  P  P122  1  0.671463  0.789095  0.347297  1
  P  P123  1  0.207370  0.140166  0.310260  1
  P  P124  1  0.135557  0.438025  0.384334  1
  P  P125  1  0.707370  0.140166  0.310260  1
  P  P126  1  0.635557  0.438025  0.384334  1
  P  P127  1  0.649327  0.544400  0.357377  1
  P  P128  1  0.149327  0.544400  0.357377  1
  P  P129  1  0.685234  0.895471  0.320340  1
  P  P130  1  0.718620  0.246223  0.283796  1
  P  P131  1  0.185234  0.895471  0.320340  1
  P  P132  1  0.218620  0.246223  0.283796  1
  P  P133  1  0.238416  0.753158  0.363324  1
  P  P134  1  0.738416  0.753158  0.363324  1
  P  P135  1  0.274322  0.104228  0.326287  1
  P  P136  1  0.309582  0.457147  0.289948  1
  P  P137  1  0.774322  0.104228  0.326287  1
  P  P138  1  0.809582  0.457147  0.289948  1
  P  P139  1  0.582374  0.580337  0.341350  1
  P  P140  1  0.082374  0.580337  0.341350  1
  P  P141  1  0.618281  0.931408  0.304313  1
  P  P142  1  0.546468  0.229267  0.378387  1
  P  P143  1  0.118281  0.931408  0.304313  1
  P  P144  1  0.046468  0.229267  0.378387  1
  P  P145  1  0.282264  0.664337  0.485389  1
  P  P146  1  0.782264  0.664337  0.485389  1
  P  P147  1  0.318170  0.015408  0.448352  1
  P  P148  1  0.354076  0.366478  0.411315  1
  P  P149  1  0.818170  0.015408  0.448352  1
  P  P150  1  0.854076  0.366478  0.411315  1
  P  P151  1  0.323090  0.562734  0.441507  1
  P  P152  1  0.823090  0.562734  0.441507  1
  P  P153  1  0.358996  0.913804  0.404470  1
  P  P154  1  0.287183  0.211663  0.478544  1
  P  P155  1  0.858996  0.913804  0.404470  1
  P  P156  1  0.787183  0.211663  0.478544  1
  P  P157  1  0.277644  0.717496  0.464071  1
  P  P158  1  0.777644  0.717496  0.464071  1
  P  P159  1  0.313550  0.068567  0.427034  1
  P  P160  1  0.349456  0.419637  0.389997  1
  P  P161  1  0.813550  0.068567  0.427034  1
  P  P162  1  0.849456  0.419637  0.389997  1
  P  P163  1  0.327710  0.509575  0.462825  1
  P  P164  1  0.827710  0.509575  0.462825  1
  P  P165  1  0.363616  0.860645  0.425788  1
  P  P166  1  0.291803  0.158504  0.499862  1
  P  P167  1  0.863616  0.860645  0.425788  1
  P  P168  1  0.791803  0.158504  0.499862  1
  P  P169  1  0.441652  0.751269  0.391227  1
  P  P170  1  0.941652  0.751269  0.391227  1
  P  P171  1  0.369839  0.049127  0.465301  1
  P  P172  1  0.405746  0.400198  0.428264  1
  P  P173  1  0.869839  0.049127  0.465301  1
  P  P174  1  0.905746  0.400198  0.428264  1
  P  P175  1  0.271420  0.529014  0.424558  1
  P  P176  1  0.771420  0.529014  0.424558  1
  P  P177  1  0.199608  0.826872  0.498632  1
  P  P178  1  0.235514  0.177943  0.461595  1
  P  P179  1  0.699608  0.826872  0.498632  1
  P  P180  1  0.735514  0.177943  0.461595  1
  P  P181  1  0.363794  0.763984  0.406026  1
  P  P182  1  0.863794  0.763984  0.406026  1
  P  P183  1  0.291982  0.061843  0.480101  1
  P  P184  1  0.327888  0.412913  0.443063  1
  P  P185  1  0.791982  0.061843  0.480101  1
  P  P186  1  0.827888  0.412913  0.443063  1
  P  P187  1  0.349278  0.516299  0.409758  1
  P  P188  1  0.849278  0.516299  0.409758  1
  P  P189  1  0.277465  0.814157  0.483833  1
  P  P190  1  0.313371  0.165228  0.446796  1
  P  P191  1  0.777465  0.814157  0.483833  1
  P  P192  1  0.813371  0.165228  0.446796  1
  P  P193  1  0.468726  0.623226  0.483094  1
  P  P194  1  0.968726  0.623226  0.483094  1
  P  P195  1  0.504633  0.974297  0.446057  1
  P  P196  1  0.540539  0.325368  0.409020  1
  P  P197  1  0.004633  0.974297  0.446057  1
  P  P198  1  0.040539  0.325368  0.409020  1
  P  P199  1  0.136627  0.603844  0.443802  1
  P  P200  1  0.636627  0.603844  0.443802  1
  P  P201  1  0.172533  0.954915  0.406765  1
  P  P202  1  0.100721  0.252774  0.480839  1
  P  P203  1  0.672533  0.954915  0.406765  1
  P  P204  1  0.600721  0.252774  0.480839  1
  P  P205  1  0.415871  0.635639  0.441169  1
  P  P206  1  0.915871  0.635639  0.441169  1
  P  P207  1  0.451778  0.986710  0.404132  1
  P  P208  1  0.379965  0.284569  0.478206  1
  P  P209  1  0.951778  0.986710  0.404132  1
  P  P210  1  0.879965  0.284569  0.478206  1
  P  P211  1  0.189482  0.591431  0.485727  1
  P  P212  1  0.689482  0.591431  0.485727  1
  P  P213  1  0.225388  0.942502  0.448690  1
  P  P214  1  0.261294  0.293573  0.411653  1
  P  P215  1  0.725388  0.942502  0.448690  1
  P  P216  1  0.761294  0.293573  0.411653  1
  P  P217  1  0.463031  0.673485  0.455752  1
  P  P218  1  0.963031  0.673485  0.455752  1
  P  P219  1  0.498938  0.024556  0.418715  1
  P  P220  1  0.427125  0.322414  0.492789  1
  P  P221  1  0.998938  0.024556  0.418715  1
  P  P222  1  0.927125  0.322414  0.492789  1
  P  P223  1  0.142322  0.553586  0.471144  1
  P  P224  1  0.642322  0.553586  0.471144  1
  P  P225  1  0.178228  0.904657  0.434107  1
  P  P226  1  0.214134  0.255727  0.397070  1
  P  P227  1  0.678228  0.904657  0.434107  1
  P  P228  1  0.714134  0.255727  0.397070  1
  P  P229  1  0.495177  0.623944  0.430424  1
  P  P230  1  0.995177  0.623944  0.430424  1
  P  P231  1  0.531083  0.975015  0.393387  1
  P  P232  1  0.459270  0.272873  0.467461  1
  P  P233  1  0.031083  0.975015  0.393387  1
  P  P234  1  0.959270  0.272873  0.467461  1
  P  P235  1  0.110177  0.603127  0.496472  1
  P  P236  1  0.610177  0.603127  0.496472  1
  P  P237  1  0.146083  0.954197  0.459435  1
  P  P238  1  0.181989  0.305268  0.422398  1
  P  P239  1  0.646083  0.954197  0.459435  1
  P  P240  1  0.681989  0.305268  0.422398  1
  P  P241  1  0.113060  0.753172  0.496202  1
  P  P242  1  0.613060  0.753172  0.496202  1
  P  P243  1  0.148966  0.104243  0.459165  1
  P  P244  1  0.184872  0.455313  0.422128  1
  P  P245  1  0.648966  0.104243  0.459165  1
  P  P246  1  0.684872  0.455313  0.422128  1
  P  P247  1  0.492293  0.473899  0.430694  1
  P  P248  1  0.992293  0.473899  0.430694  1
  P  P249  1  0.528200  0.824969  0.393657  1
  P  P250  1  0.456387  0.122828  0.467731  1
  P  P251  1  0.028200  0.824969  0.393657  1
  P  P252  1  0.956387  0.122828  0.467731  1
  P  P253  1  0.136353  0.746057  0.442831  1
  P  P254  1  0.636353  0.746057  0.442831  1
  P  P255  1  0.172260  0.097128  0.405794  1
  P  P256  1  0.100447  0.394986  0.479868  1
  P  P257  1  0.672260  0.097128  0.405794  1
  P  P258  1  0.600447  0.394986  0.479868  1
  P  P259  1  0.469000  0.481014  0.484065  1
  P  P260  1  0.969000  0.481014  0.484065  1
  P  P261  1  0.504906  0.832084  0.447028  1
  P  P262  1  0.540812  0.183155  0.409991  1
  P  P263  1  0.004906  0.832084  0.447028  1
  P  P264  1  0.040812  0.183155  0.409991  1
  P  P265  1  0.063745  0.735883  0.458408  1
  P  P266  1  0.563745  0.735883  0.458408  1
  P  P267  1  0.099651  0.086954  0.421371  1
  P  P268  1  0.027838  0.384812  0.495445  1
  P  P269  1  0.599651  0.086954  0.421371  1
  P  P270  1  0.527838  0.384812  0.495445  1
  P  P271  1  0.541609  0.491188  0.468488  1
  P  P272  1  0.041609  0.491188  0.468488  1
  P  P273  1  0.577515  0.842258  0.431451  1
  P  P274  1  0.613421  0.193329  0.394414  1
  P  P275  1  0.077515  0.842258  0.431451  1
  P  P276  1  0.113421  0.193329  0.394414  1
  P  P277  1  0.130698  0.699945  0.474435  1
  P  P278  1  0.630698  0.699945  0.474435  1
  P  P279  1  0.166604  0.051016  0.437398  1
  P  P280  1  0.202510  0.402087  0.400361  1
  P  P281  1  0.666604  0.051016  0.437398  1
  P  P282  1  0.702510  0.402087  0.400361  1
  P  P283  1  0.474656  0.527125  0.452461  1
  P  P284  1  0.974656  0.527125  0.452461  1
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  P  P573  1  0.295125  0.771771  0.637646  1
  P  P574  1  0.223959  0.067782  0.711022  1
  P  P575  1  0.795125  0.771771  0.637646  1
  P  P576  1  0.723959  0.067782  0.711022  1
