# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   39.33758176
_cell_length_b   21.70256791
_cell_length_c   57.51133272
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   64.18951654
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P192
_cell_volume   44200.7965972
_cell_formula_units_Z   192
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  0.505123  0.556492  0.330822  1
  P  P2  1  0.005123  0.556492  0.330822  1
  P  P3  1  0.430142  0.365152  0.430822  1
  P  P4  1  0.930142  0.365152  0.430822  1
  P  P5  1  0.400632  0.918431  0.472162  1
  P  P6  1  0.900632  0.918431  0.472162  1
  P  P7  1  0.475613  0.109771  0.372162  1
  P  P8  1  0.975613  0.109771  0.372162  1
  P  P9  1  0.490253  0.582791  0.384354  1
  P  P10  1  0.990253  0.582791  0.384354  1
  P  P11  1  0.415273  0.391452  0.484354  1
  P  P12  1  0.915273  0.391452  0.484354  1
  P  P13  1  0.415501  0.892132  0.418630  1
  P  P14  1  0.915501  0.892132  0.418630  1
  P  P15  1  0.490482  0.083472  0.318630  1
  P  P16  1  0.990482  0.083472  0.318630  1
  P  P17  1  0.423093  0.647468  0.348997  1
  P  P18  1  0.923093  0.647468  0.348997  1
  P  P19  1  0.348113  0.456129  0.448997  1
  P  P20  1  0.848113  0.456129  0.448997  1
  P  P21  1  0.482661  0.827455  0.453986  1
  P  P22  1  0.982661  0.827455  0.453986  1
  P  P23  1  0.557642  0.018795  0.353986  1
  P  P24  1  0.057642  0.018795  0.353986  1
  P  P25  1  0.484889  0.702203  0.351496  1
  P  P26  1  0.984889  0.702203  0.351496  1
  P  P27  1  0.409909  0.510863  0.451496  1
  P  P28  1  0.909909  0.510863  0.451496  1
  P  P29  1  0.420866  0.772721  0.451488  1
  P  P30  1  0.920866  0.772721  0.451488  1
  P  P31  1  0.495846  0.964060  0.351488  1
  P  P32  1  0.995846  0.964060  0.351488  1
  P  P33  1  0.194509  0.108322  0.499069  1
  P  P34  1  0.694509  0.108322  0.499069  1
  P  P35  1  0.269489  0.299661  0.399069  1
  P  P36  1  0.769489  0.299661  0.399069  1
  P  P37  1  0.711141  0.366890  0.303830  1
  P  P38  1  0.211141  0.366890  0.303830  1
  P  P39  1  0.636266  0.175262  0.403914  1
  P  P40  1  0.136266  0.175262  0.403914  1
  P  P41  1  0.413387  0.407567  0.330804  1
  P  P42  1  0.913387  0.407567  0.330804  1
  P  P43  1  0.339570  0.215727  0.430705  1
  P  P44  1  0.839570  0.215727  0.430705  1
  P  P45  1  0.491204  0.067856  0.472279  1
  P  P46  1  0.991204  0.067856  0.472279  1
  P  P47  1  0.566185  0.259196  0.372279  1
  P  P48  1  0.066185  0.259196  0.372279  1
  P  P49  1  0.336633  0.496643  0.353028  1
  P  P50  1  0.836633  0.496643  0.353028  1
  P  P51  1  0.260967  0.307010  0.453403  1
  P  P52  1  0.760967  0.307010  0.453403  1
  P  P53  1  0.569808  0.976573  0.449581  1
  P  P54  1  0.069808  0.976573  0.449581  1
  P  P55  1  0.644788  0.167913  0.349581  1
  P  P56  1  0.144788  0.167913  0.349581  1
  P  P57  1  0.273336  0.172377  0.426922  1
  P  P58  1  0.773336  0.172377  0.426922  1
  P  P59  1  0.348689  0.365212  0.327113  1
  P  P60  1  0.848689  0.365212  0.327113  1
  P  P61  1  0.632418  0.302546  0.376062  1
  P  P62  1  0.132418  0.302546  0.376062  1
  P  P63  1  0.557438  0.111206  0.476062  1
  P  P64  1  0.057438  0.111206  0.476062  1
  P  P65  1  0.614528  0.713794  0.396229  1
  P  P66  1  0.114528  0.713794  0.396229  1
  P  P67  1  0.539548  0.522455  0.496229  1
  P  P68  1  0.039548  0.522455  0.496229  1
  P  P69  1  0.291227  0.761129  0.406755  1
  P  P70  1  0.791227  0.761129  0.406755  1
  P  P71  1  0.365157  0.957172  0.307749  1
  P  P72  1  0.865157  0.957172  0.307749  1
  P  P73  1  0.626664  0.573268  0.418184  1
  P  P74  1  0.126664  0.573268  0.418184  1
  P  P75  1  0.703929  0.765540  0.317615  1
  P  P76  1  0.203929  0.765540  0.317615  1
  P  P77  1  0.279091  0.901655  0.384800  1
  P  P78  1  0.779091  0.901655  0.384800  1
  P  P79  1  0.204110  0.710316  0.484800  1
  P  P80  1  0.704110  0.710316  0.484800  1
  P  P81  1  0.696508  0.596206  0.401983  1
  P  P82  1  0.196508  0.596206  0.401983  1
  P  P83  1  0.768979  0.786980  0.302464  1
  P  P84  1  0.268979  0.786980  0.302464  1
  P  P85  1  0.209247  0.878717  0.401000  1
  P  P86  1  0.709247  0.878717  0.401000  1
  P  P87  1  0.134267  0.687378  0.501000  1
  P  P88  1  0.634267  0.687378  0.501000  1
  P  P89  1  0.641585  0.582404  0.364958  1
  P  P90  1  0.141585  0.582404  0.364958  1
  P  P91  1  0.566605  0.391065  0.464958  1
  P  P92  1  0.066605  0.391065  0.464958  1
  P  P93  1  0.264170  0.892519  0.438026  1
  P  P94  1  0.764170  0.892519  0.438026  1
  P  P95  1  0.339976  0.079522  0.336944  1
  P  P96  1  0.839976  0.079522  0.336944  1
  P  P97  1  0.355162  0.173813  0.530822  1
  P  P98  1  0.855162  0.173813  0.530822  1
  P  P99  1  0.280181  0.982473  0.630822  1
  P  P100  1  0.780181  0.982473  0.630822  1
  P  P101  1  0.250671  0.535752  0.672162  1
  P  P102  1  0.750671  0.535752  0.672162  1
  P  P103  1  0.325652  0.727092  0.572162  1
  P  P104  1  0.825652  0.727092  0.572162  1
  P  P105  1  0.340292  0.200112  0.584354  1
  P  P106  1  0.840292  0.200112  0.584354  1
  P  P107  1  0.265312  0.008772  0.684354  1
  P  P108  1  0.765312  0.008772  0.684354  1
  P  P109  1  0.265540  0.509453  0.618630  1
  P  P110  1  0.765540  0.509453  0.618630  1
  P  P111  1  0.340521  0.700792  0.518630  1
  P  P112  1  0.840521  0.700792  0.518630  1
  P  P113  1  0.273132  0.264789  0.548997  1
  P  P114  1  0.773132  0.264789  0.548997  1
  P  P115  1  0.198152  0.073449  0.648997  1
  P  P116  1  0.698152  0.073449  0.648997  1
  P  P117  1  0.332700  0.444776  0.653986  1
  P  P118  1  0.832700  0.444776  0.653986  1
  P  P119  1  0.407681  0.636115  0.553986  1
  P  P120  1  0.907681  0.636115  0.553986  1
  P  P121  1  0.334928  0.319524  0.551496  1
  P  P122  1  0.834928  0.319524  0.551496  1
  P  P123  1  0.259948  0.128184  0.651496  1
  P  P124  1  0.759948  0.128184  0.651496  1
  P  P125  1  0.270905  0.390041  0.651488  1
  P  P126  1  0.770905  0.390041  0.651488  1
  P  P127  1  0.345885  0.581381  0.551488  1
  P  P128  1  0.845885  0.581381  0.551488  1
  P  P129  1  0.044653  0.725354  0.699154  1
  P  P130  1  0.544653  0.725354  0.699154  1
  P  P131  1  0.119528  0.916982  0.599069  1
  P  P132  1  0.619528  0.916982  0.599069  1
  P  P133  1  0.561285  0.983922  0.503914  1
  P  P134  1  0.061285  0.983922  0.503914  1
  P  P135  1  0.486305  0.792583  0.603914  1
  P  P136  1  0.986305  0.792583  0.603914  1
  P  P137  1  0.264590  0.024388  0.530705  1
  P  P138  1  0.764590  0.024388  0.530705  1
  P  P139  1  0.189609  0.833048  0.630705  1
  P  P140  1  0.689609  0.833048  0.630705  1
  P  P141  1  0.342407  0.684677  0.672180  1
  P  P142  1  0.842407  0.684677  0.672180  1
  P  P143  1  0.416224  0.876517  0.572279  1
  P  P144  1  0.916224  0.876517  0.572279  1
  P  P145  1  0.185986  0.115671  0.553403  1
  P  P146  1  0.685986  0.115671  0.553403  1
  P  P147  1  0.111005  0.924331  0.653403  1
  P  P148  1  0.611005  0.924331  0.653403  1
  P  P149  1  0.419161  0.595601  0.649956  1
  P  P150  1  0.919161  0.595601  0.649956  1
  P  P151  1  0.494827  0.785234  0.549581  1
  P  P152  1  0.994827  0.785234  0.549581  1
  P  P153  1  0.123375  0.789698  0.626922  1
  P  P154  1  0.623375  0.789698  0.626922  1
  P  P155  1  0.198356  0.981038  0.526922  1
  P  P156  1  0.698356  0.981038  0.526922  1
  P  P157  1  0.482457  0.919867  0.576062  1
  P  P158  1  0.982457  0.919867  0.576062  1
  P  P159  1  0.407104  0.727032  0.675871  1
  P  P160  1  0.907104  0.727032  0.675871  1
  P  P161  1  0.464567  0.331115  0.596229  1
  P  P162  1  0.964567  0.331115  0.596229  1
  P  P163  1  0.390636  0.135072  0.695235  1
  P  P164  1  0.890636  0.135072  0.695235  1
  P  P165  1  0.141266  0.378450  0.606755  1
  P  P166  1  0.641266  0.378450  0.606755  1
  P  P167  1  0.216246  0.569790  0.506755  1
  P  P168  1  0.716246  0.569790  0.506755  1
  P  P169  1  0.476703  0.190589  0.618184  1
  P  P170  1  0.976703  0.190589  0.618184  1
  P  P171  1  0.551684  0.381929  0.518184  1
  P  P172  1  0.051684  0.381929  0.518184  1
  P  P173  1  0.129130  0.518976  0.584800  1
  P  P174  1  0.629130  0.518976  0.584800  1
  P  P175  1  0.051865  0.326704  0.685369  1
  P  P176  1  0.551865  0.326704  0.685369  1
  P  P177  1  0.546547  0.213527  0.601983  1
  P  P178  1  0.046547  0.213527  0.601983  1
  P  P179  1  0.621527  0.404866  0.501983  1
  P  P180  1  0.121527  0.404866  0.501983  1
  P  P181  1  0.059286  0.496038  0.601000  1
  P  P182  1  0.559286  0.496038  0.601000  1
  P  P183  1  0.986814  0.305264  0.700520  1
  P  P184  1  0.486814  0.305264  0.700520  1
  P  P185  1  0.491624  0.199725  0.564958  1
  P  P186  1  0.991624  0.199725  0.564958  1
  P  P187  1  0.415818  0.012722  0.666039  1
  P  P188  1  0.915818  0.012722  0.666039  1
  P  P189  1  0.114209  0.509840  0.638026  1
  P  P190  1  0.614209  0.509840  0.638026  1
  P  P191  1  0.189189  0.701179  0.538026  1
  P  P192  1  0.689189  0.701179  0.538026  1
