# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.32101878
_cell_length_b   15.20791516
_cell_length_c   48.08929964
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.29507812
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P216
_cell_volume   12938.0030743
_cell_formula_units_Z   216
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  0.264894  0.670650  0.295333  1
  P  P2  1  0.931561  0.670650  0.295333  1
  P  P3  1  0.219512  0.532067  0.340721  1
  P  P4  1  0.598227  0.670650  0.295333  1
  P  P5  1  0.886178  0.532067  0.340721  1
  P  P6  1  0.237415  0.100864  0.317788  1
  P  P7  1  0.552845  0.532067  0.340721  1
  P  P8  1  0.904082  0.100864  0.317788  1
  P  P9  1  0.570748  0.100864  0.317788  1
  P  P10  1  0.334652  0.764511  0.349129  1
  P  P11  1  0.001319  0.764511  0.349129  1
  P  P12  1  0.373495  0.326845  0.325544  1
  P  P13  1  0.667986  0.764511  0.349129  1
  P  P14  1  0.040161  0.326845  0.325544  1
  P  P15  1  0.389762  0.898191  0.301801  1
  P  P16  1  0.706828  0.326845  0.325544  1
  P  P17  1  0.056428  0.898191  0.301801  1
  P  P18  1  0.723095  0.898191  0.301801  1
  P  P19  1  0.223095  0.898191  0.301801  1
  P  P20  1  0.889762  0.898191  0.301801  1
  P  P21  1  0.167986  0.764511  0.349129  1
  P  P22  1  0.556428  0.898191  0.301801  1
  P  P23  1  0.834652  0.764511  0.349129  1
  P  P24  1  0.206828  0.326845  0.325544  1
  P  P25  1  0.501319  0.764511  0.349129  1
  P  P26  1  0.873495  0.326845  0.325544  1
  P  P27  1  0.540161  0.326845  0.325544  1
  P  P28  1  0.431561  0.670650  0.295333  1
  P  P29  1  0.098227  0.670650  0.295333  1
  P  P30  1  0.386178  0.532067  0.340721  1
  P  P31  1  0.764894  0.670650  0.295333  1
  P  P32  1  0.052845  0.532067  0.340721  1
  P  P33  1  0.404082  0.100864  0.317788  1
  P  P34  1  0.719512  0.532067  0.340721  1
  P  P35  1  0.070748  0.100864  0.317788  1
  P  P36  1  0.737415  0.100864  0.317788  1
  P  P37  1  0.184373  0.968187  0.365555  1
  P  P38  1  0.851039  0.968187  0.365555  1
  P  P39  1  0.133247  0.833274  0.413436  1
  P  P40  1  0.517706  0.968187  0.365555  1
  P  P41  1  0.799913  0.833274  0.413436  1
  P  P42  1  0.162039  0.399620  0.389045  1
  P  P43  1  0.466580  0.833274  0.413436  1
  P  P44  1  0.828706  0.399620  0.389045  1
  P  P45  1  0.495372  0.399620  0.389045  1
  P  P46  1  0.257953  0.062762  0.421277  1
  P  P47  1  0.924619  0.062762  0.421277  1
  P  P48  1  0.285464  0.629022  0.396047  1
  P  P49  1  0.591286  0.062762  0.421277  1
  P  P50  1  0.952131  0.629022  0.396047  1
  P  P51  1  0.314485  0.195619  0.373316  1
  P  P52  1  0.618797  0.629022  0.396047  1
  P  P53  1  0.981151  0.195619  0.373316  1
  P  P54  1  0.647818  0.195619  0.373316  1
  P  P55  1  0.147818  0.195619  0.373316  1
  P  P56  1  0.814485  0.195619  0.373316  1
  P  P57  1  0.091286  0.062762  0.421277  1
  P  P58  1  0.481151  0.195619  0.373316  1
  P  P59  1  0.757953  0.062762  0.421277  1
  P  P60  1  0.118797  0.629022  0.396047  1
  P  P61  1  0.424619  0.062762  0.421277  1
  P  P62  1  0.785464  0.629022  0.396047  1
  P  P63  1  0.452131  0.629022  0.396047  1
  P  P64  1  0.351039  0.968187  0.365555  1
  P  P65  1  0.017706  0.968187  0.365555  1
  P  P66  1  0.299913  0.833274  0.413436  1
  P  P67  1  0.684373  0.968187  0.365555  1
  P  P68  1  0.966580  0.833274  0.413436  1
  P  P69  1  0.328706  0.399620  0.389045  1
  P  P70  1  0.633247  0.833274  0.413436  1
  P  P71  1  0.995372  0.399620  0.389045  1
  P  P72  1  0.662039  0.399620  0.389045  1
  P  P73  1  0.106186  0.266804  0.437492  1
  P  P74  1  0.772852  0.266804  0.437492  1
  P  P75  1  0.052048  0.133483  0.485530  1
  P  P76  1  0.439519  0.266804  0.437492  1
  P  P77  1  0.718715  0.133483  0.485530  1
  P  P78  1  0.080586  0.699052  0.460953  1
  P  P79  1  0.385382  0.133483  0.485530  1
  P  P80  1  0.747252  0.699052  0.460953  1
  P  P81  1  0.413919  0.699052  0.460953  1
  P  P82  1  0.176811  0.362948  0.492759  1
  P  P83  1  0.843477  0.362948  0.492759  1
  P  P84  1  0.203946  0.929170  0.468777  1
  P  P85  1  0.510144  0.362948  0.492759  1
  P  P86  1  0.870612  0.929170  0.468777  1
  P  P87  1  0.231676  0.495976  0.444356  1
  P  P88  1  0.537279  0.929170  0.468777  1
  P  P89  1  0.898343  0.495976  0.444356  1
  P  P90  1  0.565010  0.495976  0.444356  1
  P  P91  1  0.065010  0.495976  0.444356  1
  P  P92  1  0.731676  0.495976  0.444356  1
  P  P93  1  0.010144  0.362948  0.492759  1
  P  P94  1  0.398343  0.495976  0.444356  1
  P  P95  1  0.676811  0.362948  0.492759  1
  P  P96  1  0.037279  0.929170  0.468777  1
  P  P97  1  0.343477  0.362948  0.492759  1
  P  P98  1  0.703946  0.929170  0.468777  1
  P  P99  1  0.370612  0.929170  0.468777  1
  P  P100  1  0.272852  0.266804  0.437492  1
  P  P101  1  0.939519  0.266804  0.437492  1
  P  P102  1  0.218715  0.133483  0.485530  1
  P  P103  1  0.606186  0.266804  0.437492  1
  P  P104  1  0.885382  0.133483  0.485530  1
  P  P105  1  0.247252  0.699052  0.460953  1
  P  P106  1  0.552048  0.133483  0.485530  1
  P  P107  1  0.913919  0.699052  0.460953  1
  P  P108  1  0.580586  0.699052  0.460953  1
  P  P109  1  0.026119  0.565895  0.509083  1
  P  P110  1  0.692786  0.565895  0.509083  1
  P  P111  1  0.971254  0.432866  0.557487  1
  P  P112  1  0.359453  0.565895  0.509083  1
  P  P113  1  0.637920  0.432866  0.557487  1
  P  P114  1  0.998984  0.999673  0.533066  1
  P  P115  1  0.304587  0.432866  0.557487  1
  P  P116  1  0.665651  0.999673  0.533066  1
  P  P117  1  0.332317  0.999673  0.533066  1
  P  P118  1  0.096744  0.662038  0.564350  1
  P  P119  1  0.763411  0.662038  0.564350  1
  P  P120  1  0.122344  0.229790  0.540890  1
  P  P121  1  0.430078  0.662038  0.564350  1
  P  P122  1  0.789011  0.229790  0.540890  1
  P  P123  1  0.150881  0.795360  0.516313  1
  P  P124  1  0.455678  0.229790  0.540890  1
  P  P125  1  0.817548  0.795360  0.516313  1
  P  P126  1  0.484215  0.795360  0.516313  1
  P  P127  1  0.984215  0.795360  0.516313  1
  P  P128  1  0.650881  0.795360  0.516313  1
  P  P129  1  0.930078  0.662038  0.564350  1
  P  P130  1  0.317548  0.795360  0.516313  1
  P  P131  1  0.596744  0.662038  0.564350  1
  P  P132  1  0.955678  0.229790  0.540890  1
  P  P133  1  0.263411  0.662038  0.564350  1
  P  P134  1  0.622344  0.229790  0.540890  1
  P  P135  1  0.289011  0.229790  0.540890  1
  P  P136  1  0.192786  0.565895  0.509083  1
  P  P137  1  0.859453  0.565895  0.509083  1
  P  P138  1  0.137920  0.432866  0.557487  1
  P  P139  1  0.526119  0.565895  0.509083  1
  P  P140  1  0.804587  0.432866  0.557487  1
  P  P141  1  0.165651  0.999673  0.533066  1
  P  P142  1  0.471254  0.432866  0.557487  1
  P  P143  1  0.832317  0.999673  0.533066  1
  P  P144  1  0.498984  0.999673  0.533066  1
  P  P145  1  0.944977  0.866081  0.580565  1
  P  P146  1  0.611644  0.866081  0.580565  1
  P  P147  1  0.888445  0.733223  0.628527  1
  P  P148  1  0.278310  0.866081  0.580565  1
  P  P149  1  0.555112  0.733223  0.628527  1
  P  P150  1  0.917466  0.299821  0.605795  1
  P  P151  1  0.221779  0.733223  0.628527  1
  P  P152  1  0.584133  0.299821  0.605795  1
  P  P153  1  0.250799  0.299821  0.605795  1
  P  P154  1  0.018557  0.960656  0.636287  1
  P  P155  1  0.685224  0.960656  0.636287  1
  P  P156  1  0.040891  0.529222  0.612797  1
  P  P157  1  0.351891  0.960656  0.636287  1
  P  P158  1  0.707558  0.529222  0.612797  1
  P  P159  1  0.069683  0.095568  0.588407  1
  P  P160  1  0.374224  0.529222  0.612797  1
  P  P161  1  0.736350  0.095568  0.588407  1
  P  P162  1  0.403016  0.095568  0.588407  1
  P  P163  1  0.903016  0.095568  0.588407  1
  P  P164  1  0.569683  0.095568  0.588407  1
  P  P165  1  0.851891  0.960656  0.636287  1
  P  P166  1  0.236350  0.095568  0.588407  1
  P  P167  1  0.518557  0.960656  0.636287  1
  P  P168  1  0.874224  0.529222  0.612797  1
  P  P169  1  0.185224  0.960656  0.636287  1
  P  P170  1  0.540891  0.529222  0.612797  1
  P  P171  1  0.207558  0.529222  0.612797  1
  P  P172  1  0.111644  0.866081  0.580565  1
  P  P173  1  0.778310  0.866081  0.580565  1
  P  P174  1  0.055112  0.733223  0.628527  1
  P  P175  1  0.444977  0.866081  0.580565  1
  P  P176  1  0.721779  0.733223  0.628527  1
  P  P177  1  0.084133  0.299821  0.605795  1
  P  P178  1  0.388445  0.733223  0.628527  1
  P  P179  1  0.750799  0.299821  0.605795  1
  P  P180  1  0.417466  0.299821  0.605795  1
  P  P181  1  0.868278  0.164332  0.652713  1
  P  P182  1  0.534944  0.164332  0.652713  1
  P  P183  1  0.813168  0.030652  0.700041  1
  P  P184  1  0.201611  0.164332  0.652713  1
  P  P185  1  0.479835  0.030652  0.700041  1
  P  P186  1  0.829435  0.601997  0.676298  1
  P  P187  1  0.146501  0.030652  0.700041  1
  P  P188  1  0.496102  0.601997  0.676298  1
  P  P189  1  0.162768  0.601997  0.676298  1
  P  P190  1  0.938036  0.258193  0.706509  1
  P  P191  1  0.604702  0.258193  0.706509  1
  P  P192  1  0.965515  0.827979  0.684054  1
  P  P193  1  0.271369  0.258193  0.706509  1
  P  P194  1  0.632182  0.827979  0.684054  1
  P  P195  1  0.983418  0.396776  0.661121  1
  P  P196  1  0.298848  0.827979  0.684054  1
  P  P197  1  0.650085  0.396776  0.661121  1
  P  P198  1  0.316752  0.396776  0.661121  1
  P  P199  1  0.816752  0.396776  0.661121  1
  P  P200  1  0.483418  0.396776  0.661121  1
  P  P201  1  0.771369  0.258193  0.706509  1
  P  P202  1  0.150085  0.396776  0.661121  1
  P  P203  1  0.438036  0.258193  0.706509  1
  P  P204  1  0.798848  0.827979  0.684054  1
  P  P205  1  0.104702  0.258193  0.706509  1
  P  P206  1  0.465515  0.827979  0.684054  1
  P  P207  1  0.132182  0.827979  0.684054  1
  P  P208  1  0.034944  0.164332  0.652713  1
  P  P209  1  0.701611  0.164332  0.652713  1
  P  P210  1  0.979835  0.030652  0.700041  1
  P  P211  1  0.368278  0.164332  0.652713  1
  P  P212  1  0.646501  0.030652  0.700041  1
  P  P213  1  0.996102  0.601997  0.676298  1
  P  P214  1  0.313168  0.030652  0.700041  1
  P  P215  1  0.662768  0.601997  0.676298  1
  P  P216  1  0.329435  0.601997  0.676298  1
