# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.47189220
_cell_length_b   23.15125321
_cell_length_c   51.85378857
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   88.28533861
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P224
_cell_volume   13765.6128119
_cell_formula_units_Z   224
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  0.208931  0.539043  0.279816  1
  P  P2  1  0.708931  1.039043  0.279816  1
  P  P3  1  0.659166  0.550745  0.307274  1
  P  P4  1  0.159166  1.050745  0.307274  1
  P  P5  1  0.140724  0.908787  0.283292  1
  P  P6  1  0.640724  0.408787  0.283292  1
  P  P7  1  0.598712  0.930044  0.312986  1
  P  P8  1  0.098712  0.430044  0.312986  1
  P  P9  1  0.409166  0.800745  0.307274  1
  P  P10  1  0.909166  0.300745  0.307274  1
  P  P11  1  0.958931  0.789043  0.279816  1
  P  P12  1  0.458931  0.289043  0.279816  1
  P  P13  1  0.390724  0.658787  0.283292  1
  P  P14  1  0.890724  0.158787  0.283292  1
  P  P15  1  0.848712  0.680044  0.312986  1
  P  P16  1  0.348712  0.180044  0.312986  1
  P  P17  1  0.141602  0.805375  0.324898  1
  P  P18  1  0.641602  0.305375  0.324898  1
  P  P19  1  0.682600  0.797246  0.293210  1
  P  P20  1  0.182600  0.297246  0.293210  1
  P  P21  1  0.117350  0.670085  0.297215  1
  P  P22  1  0.617350  0.170085  0.297215  1
  P  P23  1  0.664138  0.664407  0.268822  1
  P  P24  1  0.164138  0.164407  0.268822  1
  P  P25  1  0.391602  0.555375  0.324898  1
  P  P26  1  0.891602  1.055375  0.324898  1
  P  P27  1  0.932600  0.547246  0.293210  1
  P  P28  1  0.432600  1.047246  0.293210  1
  P  P29  1  0.414138  0.914407  0.268822  1
  P  P30  1  0.914138  0.414407  0.268822  1
  P  P31  1  0.867350  0.920085  0.297215  1
  P  P32  1  0.367350  0.420085  0.297215  1
  P  P33  1  0.119022  0.564609  0.339336  1
  P  P34  1  0.619022  1.064609  0.339336  1
  P  P35  1  0.577739  0.577579  0.369629  1
  P  P36  1  0.077739  1.077579  0.369629  1
  P  P37  1  0.055909  0.940058  0.342922  1
  P  P38  1  0.555909  0.440058  0.342922  1
  P  P39  1  0.512634  0.954567  0.373906  1
  P  P40  1  0.012634  0.454567  0.373906  1
  P  P41  1  0.327739  0.827579  0.369629  1
  P  P42  1  0.827739  0.327579  0.369629  1
  P  P43  1  0.869022  0.814609  0.339336  1
  P  P44  1  0.369022  0.314609  0.339336  1
  P  P45  1  0.305909  0.690058  0.342922  1
  P  P46  1  0.805909  0.190058  0.342922  1
  P  P47  1  0.762634  0.704567  0.373906  1
  P  P48  1  0.262634  0.204567  0.373906  1
  P  P49  1  0.055646  0.834193  0.385444  1
  P  P50  1  0.555646  0.334193  0.385444  1
  P  P51  1  0.596724  0.821002  0.353859  1
  P  P52  1  0.096724  0.321002  0.353859  1
  P  P53  1  0.034256  0.697318  0.358634  1
  P  P54  1  0.534256  0.197318  0.358634  1
  P  P55  1  0.576815  0.685314  0.327768  1
  P  P56  1  0.076815  0.185314  0.327768  1
  P  P57  1  0.305646  0.584193  0.385444  1
  P  P58  1  0.805646  1.084193  0.385444  1
  P  P59  1  0.846724  0.571002  0.353859  1
  P  P60  1  0.346724  1.071002  0.353859  1
  P  P61  1  0.326815  0.935314  0.327768  1
  P  P62  1  0.826815  0.435314  0.327768  1
  P  P63  1  0.784256  0.947318  0.358634  1
  P  P64  1  0.284256  0.447318  0.358634  1
  P  P65  1  0.033721  0.590396  0.400474  1
  P  P66  1  0.533721  1.090396  0.400474  1
  P  P67  1  0.492472  0.604174  0.431119  1
  P  P68  1  0.992472  1.104174  0.431119  1
  P  P69  1  0.970777  0.968039  0.404260  1
  P  P70  1  0.470777  0.468039  0.404260  1
  P  P71  1  0.427962  0.980705  0.435089  1
  P  P72  1  0.927962  0.480705  0.435089  1
  P  P73  1  0.242472  0.854174  0.431119  1
  P  P74  1  0.742472  0.354174  0.431119  1
  P  P75  1  0.783721  0.840396  0.400474  1
  P  P76  1  0.283721  0.340396  0.400474  1
  P  P77  1  0.220777  0.718039  0.404260  1
  P  P78  1  0.720777  0.218039  0.404260  1
  P  P79  1  0.677962  0.730705  0.435089  1
  P  P80  1  0.177962  0.230705  0.435089  1
  P  P81  1  0.970778  0.861043  0.446421  1
  P  P82  1  0.470778  0.361043  0.446421  1
  P  P83  1  0.513330  0.847149  0.415711  1
  P  P84  1  0.013330  0.347149  0.415711  1
  P  P85  1  0.949373  0.724263  0.419756  1
  P  P86  1  0.449373  0.224263  0.419756  1
  P  P87  1  0.491694  0.711117  0.389023  1
  P  P88  1  0.991694  0.211117  0.389023  1
  P  P89  1  0.220778  0.611043  0.446421  1
  P  P90  1  0.720778  1.111043  0.446421  1
  P  P91  1  0.763330  0.597149  0.415711  1
  P  P92  1  0.263330  1.097149  0.415711  1
  P  P93  1  0.241694  0.961117  0.389023  1
  P  P94  1  0.741694  0.461117  0.389023  1
  P  P95  1  0.699373  0.974263  0.419756  1
  P  P96  1  0.199373  0.474263  0.419756  1
  P  P97  1  0.949551  0.617404  0.461750  1
  P  P98  1  0.449551  1.117404  0.461750  1
  P  P99  1  0.407329  0.630516  0.492432  1
  P  P100  1  0.907329  1.130516  0.492432  1
  P  P101  1  0.885631  0.994539  0.465613  1
  P  P102  1  0.385631  0.494539  0.465613  1
  P  P103  1  0.343409  1.007651  0.496295  1
  P  P104  1  0.843409  0.507651  0.496295  1
  P  P105  1  0.157329  0.880516  0.492432  1
  P  P106  1  0.657329  0.380516  0.492432  1
  P  P107  1  0.699551  0.867404  0.461750  1
  P  P108  1  0.199551  0.367404  0.461750  1
  P  P109  1  0.135631  0.744539  0.465613  1
  P  P110  1  0.635631  0.244539  0.465613  1
  P  P111  1  0.593409  0.757651  0.496295  1
  P  P112  1  0.093409  0.257651  0.496295  1
  P  P113  1  0.886182  0.887502  0.507701  1
  P  P114  1  0.386182  0.387502  0.507701  1
  P  P115  1  0.428505  0.873848  0.477110  1
  P  P116  1  0.928505  0.373848  0.477110  1
  P  P117  1  0.864455  0.751207  0.480936  1
  P  P118  1  0.364455  0.251207  0.480936  1
  P  P119  1  0.406778  0.737553  0.450345  1
  P  P120  1  0.906778  0.237553  0.450345  1
  P  P121  1  0.136182  0.637502  0.507701  1
  P  P122  1  0.636182  1.137502  0.507701  1
  P  P123  1  0.678505  0.623848  0.477110  1
  P  P124  1  0.178505  1.123848  0.477110  1
  P  P125  1  0.156778  0.987553  0.450345  1
  P  P126  1  0.656778  0.487553  0.450345  1
  P  P127  1  0.614455  1.001207  0.480936  1
  P  P128  1  0.114455  0.501207  0.480936  1
  P  P129  1  0.864998  0.644350  0.522957  1
  P  P130  1  0.364998  1.144350  0.522957  1
  P  P131  1  0.322183  0.657016  0.553785  1
  P  P132  1  0.822183  0.157016  0.553785  1
  P  P133  1  0.800488  1.020881  0.526927  1
  P  P134  1  0.300488  0.520881  0.526927  1
  P  P135  1  0.259239  1.034658  0.557572  1
  P  P136  1  0.759239  0.534658  0.557572  1
  P  P137  1  0.072183  0.907016  0.553785  1
  P  P138  1  0.572183  0.407016  0.553785  1
  P  P139  1  0.614998  0.894350  0.522957  1
  P  P140  1  0.114998  0.394350  0.522957  1
  P  P141  1  0.050488  0.770881  0.526927  1
  P  P142  1  0.550488  0.270881  0.526927  1
  P  P143  1  0.509239  0.784658  0.557572  1
  P  P144  1  0.009239  0.284658  0.557572  1
  P  P145  1  0.801266  0.913938  0.569023  1
  P  P146  1  0.301266  0.413938  0.569023  1
  P  P147  1  0.343587  0.900792  0.538290  1
  P  P148  1  0.843587  0.400792  0.538290  1
  P  P149  1  0.779630  0.777906  0.542335  1
  P  P150  1  0.279630  0.277906  0.542335  1
  P  P151  1  0.322182  0.764012  0.511625  1
  P  P152  1  0.822182  0.264012  0.511625  1
  P  P153  1  0.051266  0.663938  0.569023  1
  P  P154  1  0.551266  0.163938  0.569023  1
  P  P155  1  0.593587  0.650792  0.538290  1
  P  P156  1  0.093587  0.150792  0.538290  1
  P  P157  1  0.072182  1.014012  0.511625  1
  P  P158  1  0.572182  0.514012  0.511625  1
  P  P159  1  0.529630  1.027906  0.542335  1
  P  P160  1  0.029630  0.527906  0.542335  1
  P  P161  1  0.780326  0.670488  0.584140  1
  P  P162  1  0.280326  0.170488  0.584140  1
  P  P163  1  0.237051  0.684997  0.615124  1
  P  P164  1  0.737051  0.184997  0.615124  1
  P  P165  1  0.715221  1.047476  0.588417  1
  P  P166  1  0.215221  0.547476  0.588417  1
  P  P167  1  0.173938  1.060445  0.618710  1
  P  P168  1  0.673938  0.560445  0.618710  1
  P  P169  1  0.987051  0.934997  0.615124  1
  P  P170  1  0.487051  0.434997  0.615124  1
  P  P171  1  0.530326  0.920488  0.584140  1
  P  P172  1  0.030326  0.420488  0.584140  1
  P  P173  1  0.965221  0.797476  0.588417  1
  P  P174  1  0.465221  0.297476  0.588417  1
  P  P175  1  0.423938  0.810445  0.618710  1
  P  P176  1  0.923938  0.310445  0.618710  1
  P  P177  1  0.716145  0.939741  0.630278  1
  P  P178  1  0.216145  0.439741  0.630278  1
  P  P179  1  0.258704  0.927737  0.599412  1
  P  P180  1  0.758704  0.427737  0.599412  1
  P  P181  1  0.696236  0.804053  0.604187  1
  P  P182  1  0.196236  0.304053  0.604187  1
  P  P183  1  0.237314  0.790862  0.572601  1
  P  P184  1  0.737314  0.290862  0.572601  1
  P  P185  1  0.966145  0.689741  0.630278  1
  P  P186  1  0.466145  0.189741  0.630278  1
  P  P187  1  0.508704  0.677737  0.599412  1
  P  P188  1  0.008704  0.177737  0.599412  1
  P  P189  1  0.987314  1.040862  0.572601  1
  P  P190  1  0.487314  0.540862  0.572601  1
  P  P191  1  0.446236  1.054053  0.604187  1
  P  P192  1  0.946236  0.554053  0.604187  1
  P  P193  1  0.694248  0.695011  0.645060  1
  P  P194  1  0.194248  0.195011  0.645060  1
  P  P195  1  0.152236  0.716267  0.674754  1
  P  P196  1  0.652236  0.216267  0.674754  1
  P  P197  1  0.633794  1.074310  0.650772  1
  P  P198  1  0.133794  0.574310  0.650772  1
  P  P199  1  0.084030  1.086012  0.678229  1
  P  P200  1  0.584030  0.586012  0.678229  1
  P  P201  1  0.902236  0.966267  0.674754  1
  P  P202  1  0.402236  0.466267  0.674754  1
  P  P203  1  0.444248  0.945011  0.645060  1
  P  P204  1  0.944248  0.445011  0.645060  1
  P  P205  1  0.883794  0.824310  0.650772  1
  P  P206  1  0.383794  0.324310  0.650772  1
  P  P207  1  0.334030  0.836012  0.678229  1
  P  P208  1  0.834030  0.336012  0.678229  1
  P  P209  1  0.628822  0.960647  0.689223  1
  P  P210  1  0.128822  0.460647  0.689223  1
  P  P211  1  0.175610  0.954969  0.660831  1
  P  P212  1  0.675610  0.454969  0.660831  1
  P  P213  1  0.610360  0.827809  0.664836  1
  P  P214  1  0.110360  0.327809  0.664836  1
  P  P215  1  0.151358  0.819679  0.633148  1
  P  P216  1  0.651358  0.319679  0.633148  1
  P  P217  1  0.878822  0.710647  0.689223  1
  P  P218  1  0.378822  0.210647  0.689223  1
  P  P219  1  0.425610  0.704969  0.660831  1
  P  P220  1  0.925610  0.204969  0.660831  1
  P  P221  1  0.901358  1.069679  0.633148  1
  P  P222  1  0.401358  0.569679  0.633148  1
  P  P223  1  0.360360  1.077809  0.664836  1
  P  P224  1  0.860360  0.577809  0.664836  1
