# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   106.10740667
_cell_length_b   38.58773872
_cell_length_c   47.69556178
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   73.30333314
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P864
_cell_volume   187053.401136
_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  0.810336  0.417093  0.386710  1
  P  P2  1  0.966195  0.369437  0.315281  1
  P  P3  1  0.477003  0.417093  0.386710  1
  P  P4  1  0.632862  0.369437  0.315281  1
  P  P5  1  0.977003  0.917093  0.386710  1
  P  P6  1  0.143670  0.417093  0.386710  1
  P  P7  1  0.299528  0.369437  0.315281  1
  P  P8  1  0.643670  0.917093  0.386710  1
  P  P9  1  0.799528  0.869437  0.315281  1
  P  P10  1  0.310336  0.917093  0.386710  1
  P  P11  1  0.466195  0.869437  0.315281  1
  P  P12  1  0.132862  0.869437  0.315281  1
  P  P13  1  0.800803  0.563509  0.328531  1
  P  P14  1  0.978513  0.610198  0.400289  1
  P  P15  1  0.467470  0.563509  0.328531  1
  P  P16  1  0.645179  0.610198  0.400289  1
  P  P17  1  0.967470  0.063509  0.328531  1
  P  P18  1  0.134137  0.563509  0.328531  1
  P  P19  1  0.311846  0.610198  0.400289  1
  P  P20  1  0.634137  0.063509  0.328531  1
  P  P21  1  0.811846  0.110198  0.400289  1
  P  P22  1  0.300803  0.063509  0.328531  1
  P  P23  1  0.478513  0.110198  0.400289  1
  P  P24  1  0.145179  0.110198  0.400289  1
  P  P25  1  0.789937  0.299884  0.307365  1
  P  P26  1  0.967387  0.347587  0.378840  1
  P  P27  1  0.456603  0.299884  0.307365  1
  P  P28  1  0.634054  0.347587  0.378840  1
  P  P29  1  0.956603  0.799884  0.307365  1
  P  P30  1  0.123270  0.299884  0.307365  1
  P  P31  1  0.300720  0.347587  0.378840  1
  P  P32  1  0.623270  0.799884  0.307365  1
  P  P33  1  0.800720  0.847587  0.378840  1
  P  P34  1  0.289937  0.799884  0.307365  1
  P  P35  1  0.467387  0.847587  0.378840  1
  P  P36  1  0.134054  0.847587  0.378840  1
  P  P37  1  0.821462  0.679704  0.408158  1
  P  P38  1  0.977321  0.632048  0.336730  1
  P  P39  1  0.488129  0.679704  0.408158  1
  P  P40  1  0.643987  0.632048  0.336730  1
  P  P41  1  0.988129  0.179704  0.408158  1
  P  P42  1  0.154795  0.679704  0.408158  1
  P  P43  1  0.310654  0.632048  0.336730  1
  P  P44  1  0.654795  0.179704  0.408158  1
  P  P45  1  0.810654  0.132048  0.336730  1
  P  P46  1  0.321462  0.179704  0.408158  1
  P  P47  1  0.477321  0.132048  0.336730  1
  P  P48  1  0.143987  0.132048  0.336730  1
  P  P49  1  0.837091  0.372179  0.413393  1
  P  P50  1  0.992950  0.324524  0.341965  1
  P  P51  1  0.503758  0.372179  0.413393  1
  P  P52  1  0.659616  0.324524  0.341965  1
  P  P53  1  0.003758  0.872179  0.413393  1
  P  P54  1  0.170425  0.372179  0.413393  1
  P  P55  1  0.326283  0.324524  0.341965  1
  P  P56  1  0.670425  0.872179  0.413393  1
  P  P57  1  0.826283  0.824524  0.341965  1
  P  P58  1  0.337091  0.872179  0.413393  1
  P  P59  1  0.492950  0.824524  0.341965  1
  P  P60  1  0.159616  0.824524  0.341965  1
  P  P61  1  0.774677  0.607363  0.302419  1
  P  P62  1  0.951758  0.655112  0.373606  1
  P  P63  1  0.441343  0.607363  0.302419  1
  P  P64  1  0.618425  0.655112  0.373606  1
  P  P65  1  0.941343  0.107363  0.302419  1
  P  P66  1  0.108010  0.607363  0.302419  1
  P  P67  1  0.285091  0.655112  0.373606  1
  P  P68  1  0.608010  0.107363  0.302419  1
  P  P69  1  0.785091  0.155112  0.373606  1
  P  P70  1  0.274677  0.107363  0.302419  1
  P  P71  1  0.451758  0.155112  0.373606  1
  P  P72  1  0.118425  0.155112  0.373606  1
  P  P73  1  0.814467  0.335979  0.403676  1
  P  P74  1  0.970326  0.288324  0.332248  1
  P  P75  1  0.481134  0.335979  0.403676  1
  P  P76  1  0.636993  0.288324  0.332248  1
  P  P77  1  0.981134  0.835979  0.403676  1
  P  P78  1  0.147801  0.335979  0.403676  1
  P  P79  1  0.303659  0.288324  0.332248  1
  P  P80  1  0.647801  0.835979  0.403676  1
  P  P81  1  0.803659  0.788324  0.332248  1
  P  P82  1  0.314467  0.835979  0.403676  1
  P  P83  1  0.470326  0.788324  0.332248  1
  P  P84  1  0.136993  0.788324  0.332248  1
  P  P85  1  0.796772  0.642734  0.311934  1
  P  P86  1  0.974382  0.691311  0.383322  1
  P  P87  1  0.463439  0.642734  0.311934  1
  P  P88  1  0.641048  0.691311  0.383322  1
  P  P89  1  0.963439  0.142734  0.311934  1
  P  P90  1  0.130106  0.642734  0.311934  1
  P  P91  1  0.307715  0.691311  0.383322  1
  P  P92  1  0.630106  0.142734  0.311934  1
  P  P93  1  0.807715  0.191311  0.383322  1
  P  P94  1  0.296772  0.142734  0.311934  1
  P  P95  1  0.474382  0.191311  0.383322  1
  P  P96  1  0.141048  0.191311  0.383322  1
  P  P97  1  0.870265  0.473702  0.376731  1
  P  P98  1  0.026124  0.426046  0.305303  1
  P  P99  1  0.536932  0.473702  0.376731  1
  P  P100  1  0.692790  0.426046  0.305303  1
  P  P101  1  0.036932  0.973702  0.376731  1
  P  P102  1  0.203598  0.473702  0.376731  1
  P  P103  1  0.359457  0.426046  0.305303  1
  P  P104  1  0.703598  0.973702  0.376731  1
  P  P105  1  0.859457  0.926046  0.305303  1
  P  P106  1  0.370265  0.973702  0.376731  1
  P  P107  1  0.526124  0.926046  0.305303  1
  P  P108  1  0.192790  0.926046  0.305303  1
  P  P109  1  0.741324  0.505179  0.338274  1
  P  P110  1  0.918584  0.553589  0.410267  1
  P  P111  1  0.407991  0.505179  0.338274  1
  P  P112  1  0.585251  0.553589  0.410267  1
  P  P113  1  0.907991  0.005179  0.338274  1
  P  P114  1  0.074658  0.505179  0.338274  1
  P  P115  1  0.251917  0.553589  0.410267  1
  P  P116  1  0.574658  0.005179  0.338274  1
  P  P117  1  0.751917  0.053589  0.410267  1
  P  P118  1  0.241324  0.005179  0.338274  1
  P  P119  1  0.418584  0.053589  0.410267  1
  P  P120  1  0.085251  0.053589  0.410267  1
  P  P121  1  0.844139  0.507626  0.410160  1
  P  P122  1  0.999997  0.459970  0.338731  1
  P  P123  1  0.510805  0.507626  0.410160  1
  P  P124  1  0.666664  0.459970  0.338731  1
  P  P125  1  0.010805  0.007626  0.410160  1
  P  P126  1  0.177472  0.507626  0.410160  1
  P  P127  1  0.333331  0.459970  0.338731  1
  P  P128  1  0.677472  0.007626  0.410160  1
  P  P129  1  0.833331  0.959970  0.338731  1
  P  P130  1  0.344139  0.007626  0.410160  1
  P  P131  1  0.499997  0.959970  0.338731  1
  P  P132  1  0.166664  0.959970  0.338731  1
  P  P133  1  0.766838  0.472083  0.305582  1
  P  P134  1  0.944710  0.519665  0.376839  1
  P  P135  1  0.433504  0.472083  0.305582  1
  P  P136  1  0.611377  0.519665  0.376839  1
  P  P137  1  0.933504  0.972083  0.305582  1
  P  P138  1  0.100171  0.472083  0.305582  1
  P  P139  1  0.278044  0.519665  0.376839  1
  P  P140  1  0.600171  0.972083  0.305582  1
  P  P141  1  0.778044  0.019665  0.376839  1
  P  P142  1  0.266838  0.972083  0.305582  1
  P  P143  1  0.444710  0.019665  0.376839  1
  P  P144  1  0.111377  0.019665  0.376839  1
  P  P145  1  0.847721  0.366259  0.298788  1
  P  P146  1  0.025217  0.413811  0.370255  1
  P  P147  1  0.514387  0.366259  0.298788  1
  P  P148  1  0.691884  0.413811  0.370255  1
  P  P149  1  0.014387  0.866259  0.298788  1
  P  P150  1  0.181054  0.366259  0.298788  1
  P  P151  1  0.358551  0.413811  0.370255  1
  P  P152  1  0.681054  0.866259  0.298788  1
  P  P153  1  0.858551  0.913811  0.370255  1
  P  P154  1  0.347721  0.866259  0.298788  1
  P  P155  1  0.525217  0.913811  0.370255  1
  P  P156  1  0.191884  0.913811  0.370255  1
  P  P157  1  0.763632  0.613480  0.416744  1
  P  P158  1  0.919490  0.565824  0.345315  1
  P  P159  1  0.430298  0.613480  0.416744  1
  P  P160  1  0.586157  0.565824  0.345315  1
  P  P161  1  0.930298  0.113480  0.416744  1
  P  P162  1  0.096965  0.613480  0.416744  1
  P  P163  1  0.252824  0.565824  0.345315  1
  P  P164  1  0.596965  0.113480  0.416744  1
  P  P165  1  0.752824  0.065824  0.345315  1
  P  P166  1  0.263632  0.113480  0.416744  1
  P  P167  1  0.419490  0.065824  0.345315  1
  P  P168  1  0.086157  0.065824  0.345315  1
  P  P169  1  0.868301  0.538242  0.418178  1
  P  P170  1  0.024160  0.490587  0.346749  1
  P  P171  1  0.534968  0.538242  0.418178  1
  P  P172  1  0.690826  0.490587  0.346749  1
  P  P173  1  0.034968  0.038242  0.418178  1
  P  P174  1  0.201634  0.538242  0.418178  1
  P  P175  1  0.357493  0.490587  0.346749  1
  P  P176  1  0.701634  0.038242  0.418178  1
  P  P177  1  0.857493  0.990587  0.346749  1
  P  P178  1  0.368301  0.038242  0.418178  1
  P  P179  1  0.524160  0.990587  0.346749  1
  P  P180  1  0.190826  0.990587  0.346749  1
  P  P181  1  0.743234  0.442178  0.297747  1
  P  P182  1  0.920548  0.489049  0.368821  1
  P  P183  1  0.409901  0.442178  0.297747  1
  P  P184  1  0.587215  0.489049  0.368821  1
  P  P185  1  0.909901  0.942178  0.297747  1
  P  P186  1  0.076568  0.442178  0.297747  1
  P  P187  1  0.253881  0.489049  0.368821  1
  P  P188  1  0.576568  0.942178  0.297747  1
  P  P189  1  0.753881  0.989049  0.368821  1
  P  P190  1  0.243234  0.942178  0.297747  1
  P  P191  1  0.420548  0.989049  0.368821  1
  P  P192  1  0.087215  0.989049  0.368821  1
  P  P193  1  0.743259  0.215563  0.294704  1
  P  P194  1  0.920978  0.262202  0.365868  1
  P  P195  1  0.409925  0.215563  0.294704  1
  P  P196  1  0.587645  0.262202  0.365868  1
  P  P197  1  0.909925  0.715563  0.294704  1
  P  P198  1  0.076592  0.215563  0.294704  1
  P  P199  1  0.254311  0.262202  0.365868  1
  P  P200  1  0.576592  0.715563  0.294704  1
  P  P201  1  0.754311  0.762202  0.365868  1
  P  P202  1  0.243259  0.715563  0.294704  1
  P  P203  1  0.420978  0.762202  0.365868  1
  P  P204  1  0.087645  0.762202  0.365868  1
  P  P205  1  0.867871  0.765089  0.421131  1
  P  P206  1  0.023730  0.717433  0.349703  1
  P  P207  1  0.534538  0.765089  0.421131  1
  P  P208  1  0.690396  0.717433  0.349703  1
  P  P209  1  0.034538  0.265089  0.421131  1
  P  P210  1  0.201204  0.765089  0.421131  1
  P  P211  1  0.357063  0.717433  0.349703  1
  P  P212  1  0.701204  0.265089  0.421131  1
  P  P213  1  0.857063  0.217433  0.349703  1
  P  P214  1  0.367871  0.265089  0.421131  1
  P  P215  1  0.523730  0.217433  0.349703  1
  P  P216  1  0.190396  0.217433  0.349703  1
  P  P217  1  0.739018  0.285834  0.328186  1
  P  P218  1  0.916641  0.334168  0.400103  1
  P  P219  1  0.405685  0.285834  0.328186  1
  P  P220  1  0.583308  0.334168  0.400103  1
  P  P221  1  0.905685  0.785834  0.328186  1
  P  P222  1  0.072351  0.285834  0.328186  1
  P  P223  1  0.249975  0.334168  0.400103  1
  P  P224  1  0.572351  0.785834  0.328186  1
  P  P225  1  0.749975  0.834168  0.400103  1
  P  P226  1  0.239018  0.785834  0.328186  1
  P  P227  1  0.416641  0.834168  0.400103  1
  P  P228  1  0.083308  0.834168  0.400103  1
  P  P229  1  0.872208  0.693123  0.386896  1
  P  P230  1  0.028066  0.645467  0.315467  1
  P  P231  1  0.538875  0.693123  0.386896  1
  P  P232  1  0.694733  0.645467  0.315467  1
  P  P233  1  0.038875  0.193123  0.386896  1
  P  P234  1  0.205541  0.693123  0.386896  1
  P  P235  1  0.361400  0.645467  0.315467  1
  P  P236  1  0.705541  0.193123  0.386896  1
  P  P237  1  0.861400  0.145467  0.315467  1
  P  P238  1  0.372208  0.193123  0.386896  1
  P  P239  1  0.528066  0.145467  0.315467  1
  P  P240  1  0.194733  0.145467  0.315467  1
  P  P241  1  0.715767  0.269760  0.298140  1
  P  P242  1  0.892834  0.317681  0.369387  1
  P  P243  1  0.382434  0.269760  0.298140  1
  P  P244  1  0.559501  0.317681  0.369387  1
  P  P245  1  0.882434  0.769760  0.298140  1
  P  P246  1  0.049100  0.269760  0.298140  1
  P  P247  1  0.226168  0.317681  0.369387  1
  P  P248  1  0.549100  0.769760  0.298140  1
  P  P249  1  0.726168  0.817681  0.369387  1
  P  P250  1  0.215767  0.769760  0.298140  1
  P  P251  1  0.392834  0.817681  0.369387  1
  P  P252  1  0.059501  0.817681  0.369387  1
  P  P253  1  0.896015  0.709609  0.417611  1
  P  P254  1  0.051873  0.661954  0.346183  1
  P  P255  1  0.562681  0.709609  0.417611  1
  P  P256  1  0.718540  0.661954  0.346183  1
  P  P257  1  0.062681  0.209609  0.417611  1
  P  P258  1  0.229348  0.709609  0.417611  1
  P  P259  1  0.385207  0.661954  0.346183  1
  P  P260  1  0.729348  0.209609  0.417611  1
  P  P261  1  0.885207  0.161954  0.346183  1
  P  P262  1  0.396015  0.209609  0.417611  1
  P  P263  1  0.551873  0.161954  0.346183  1
  P  P264  1  0.218540  0.161954  0.346183  1
  P  P265  1  0.759170  0.384260  0.405807  1
  P  P266  1  0.915029  0.336604  0.334379  1
  P  P267  1  0.425837  0.384260  0.405807  1
  P  P268  1  0.581696  0.336604  0.334379  1
  P  P269  1  0.925837  0.884260  0.405807  1
  P  P270  1  0.092504  0.384260  0.405807  1
  P  P271  1  0.248362  0.336604  0.334379  1
  P  P272  1  0.592504  0.884260  0.405807  1
  P  P273  1  0.748362  0.836604  0.334379  1
  P  P274  1  0.259170  0.884260  0.405807  1
  P  P275  1  0.415029  0.836604  0.334379  1
  P  P276  1  0.081696  0.836604  0.334379  1
  P  P277  1  0.852218  0.595447  0.309720  1
  P  P278  1  0.029679  0.643031  0.381191  1
  P  P279  1  0.518885  0.595447  0.309720  1
  P  P280  1  0.696346  0.643031  0.381191  1
  P  P281  1  0.018885  0.095447  0.309720  1
  P  P282  1  0.185551  0.595447  0.309720  1
  P  P283  1  0.363012  0.643031  0.381191  1
  P  P284  1  0.685551  0.095447  0.309720  1
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