# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   33.78302190
_cell_length_b   47.15151237
_cell_length_c   47.41558127
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.72796555
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P168
_cell_volume   75523.1588365
_cell_formula_units_Z   168
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  0.099103  0.969825  0.347709  1
  P  P2  1  0.349103  0.969825  0.347709  1
  P  P3  1  0.599103  0.969825  0.347709  1
  P  P4  1  0.849103  0.969825  0.347709  1
  P  P5  1  0.170613  0.975371  0.301702  1
  P  P6  1  0.420613  0.975371  0.301702  1
  P  P7  1  0.670613  0.975371  0.301702  1
  P  P8  1  0.920613  0.975371  0.301702  1
  P  P9  1  0.262714  0.988835  0.320117  1
  P  P10  1  0.512714  0.988835  0.320117  1
  P  P11  1  0.762714  0.988835  0.320117  1
  P  P12  1  0.012714  0.988835  0.320117  1
  P  P13  1  0.098716  0.020999  0.302850  1
  P  P14  1  0.348716  0.020999  0.302850  1
  P  P15  1  0.598716  0.020999  0.302850  1
  P  P16  1  0.848716  0.020999  0.302850  1
  P  P17  1  0.191180  0.038185  0.321397  1
  P  P18  1  0.441180  0.038185  0.321397  1
  P  P19  1  0.691180  0.038185  0.321397  1
  P  P20  1  0.941180  0.038185  0.321397  1
  P  P21  1  0.281941  0.050890  0.341722  1
  P  P22  1  0.531941  0.050890  0.341722  1
  P  P23  1  0.781941  0.050890  0.341722  1
  P  P24  1  0.031941  0.050890  0.341722  1
  P  P25  1  0.100540  0.919497  0.393886  1
  P  P26  1  0.350540  0.919497  0.393886  1
  P  P27  1  0.600540  0.919497  0.393886  1
  P  P28  1  0.850540  0.919497  0.393886  1
  P  P29  1  0.172327  0.924657  0.347071  1
  P  P30  1  0.422327  0.924657  0.347071  1
  P  P31  1  0.672327  0.924657  0.347071  1
  P  P32  1  0.922327  0.924657  0.347071  1
  P  P33  1  0.263595  0.938436  0.366797  1
  P  P34  1  0.513595  0.938436  0.366797  1
  P  P35  1  0.763595  0.938436  0.366797  1
  P  P36  1  0.013595  0.938436  0.366797  1
  P  P37  1  0.118786  0.034536  0.367192  1
  P  P38  1  0.368786  0.034536  0.367192  1
  P  P39  1  0.618786  0.034536  0.367192  1
  P  P40  1  0.868786  0.034536  0.367192  1
  P  P41  1  0.192997  0.988540  0.368004  1
  P  P42  1  0.442997  0.988540  0.368004  1
  P  P43  1  0.692997  0.988540  0.368004  1
  P  P44  1  0.942997  0.988540  0.368004  1
  P  P45  1  0.285342  1.001934  0.388514  1
  P  P46  1  0.535342  1.001934  0.388514  1
  P  P47  1  0.785342  1.001934  0.388514  1
  P  P48  1  0.035342  1.001934  0.388514  1
  P  P49  1  0.121200  0.935809  0.461380  1
  P  P50  1  0.371200  0.935809  0.461380  1
  P  P51  1  0.621200  0.935809  0.461380  1
  P  P52  1  0.871200  0.935809  0.461380  1
  P  P53  1  0.191347  0.934571  0.413125  1
  P  P54  1  0.441347  0.934571  0.413125  1
  P  P55  1  0.691347  0.934571  0.413125  1
  P  P56  1  0.941347  0.934571  0.413125  1
  P  P57  1  0.283865  0.948154  0.433520  1
  P  P58  1  0.533865  0.948154  0.433520  1
  P  P59  1  0.783865  0.948154  0.433520  1
  P  P60  1  0.033865  0.948154  0.433520  1
  P  P61  1  0.120943  0.983922  0.414377  1
  P  P62  1  0.370943  0.983922  0.414377  1
  P  P63  1  0.620943  0.983922  0.414377  1
  P  P64  1  0.870943  0.983922  0.414377  1
  P  P65  1  0.214420  0.997310  0.435614  1
  P  P66  1  0.464420  0.997310  0.435614  1
  P  P67  1  0.714420  0.997310  0.435614  1
  P  P68  1  0.964420  0.997310  0.435614  1
  P  P69  1  0.304032  1.009594  0.458387  1
  P  P70  1  0.554032  1.009594  0.458387  1
  P  P71  1  0.804032  1.009594  0.458387  1
  P  P72  1  0.054032  1.009594  0.458387  1
  P  P73  1  0.142856  0.958389  0.528257  1
  P  P74  1  0.392856  0.958389  0.528257  1
  P  P75  1  0.642856  0.958389  0.528257  1
  P  P76  1  0.892856  0.958389  0.528257  1
  P  P77  1  0.211239  0.944616  0.480555  1
  P  P78  1  0.461239  0.944616  0.480555  1
  P  P79  1  0.711239  0.944616  0.480555  1
  P  P80  1  0.961239  0.944616  0.480555  1
  P  P81  1  0.302308  0.955593  0.502567  1
  P  P82  1  0.552308  0.955593  0.502567  1
  P  P83  1  0.802308  0.955593  0.502567  1
  P  P84  1  0.052308  0.955593  0.502567  1
  P  P85  1  0.143081  1.002167  0.479830  1
  P  P86  1  0.393081  1.002167  0.479830  1
  P  P87  1  0.643081  1.002167  0.479830  1
  P  P88  1  0.893081  1.002167  0.479830  1
  P  P89  1  0.233629  1.004963  0.505520  1
  P  P90  1  0.483629  1.004963  0.505520  1
  P  P91  1  0.733629  1.004963  0.505520  1
  P  P92  1  0.983629  1.004963  0.505520  1
  P  P93  1  0.324698  0.015939  0.527532  1
  P  P94  1  0.574698  0.015939  0.527532  1
  P  P95  1  0.824698  0.015939  0.527532  1
  P  P96  1  0.074698  0.015939  0.527532  1
  P  P97  1  0.164994  0.976633  0.593710  1
  P  P98  1  0.414994  0.976633  0.593710  1
  P  P99  1  0.664994  0.976633  0.593710  1
  P  P100  1  0.914994  0.976633  0.593710  1
  P  P101  1  0.231905  0.950962  0.549699  1
  P  P102  1  0.481905  0.950962  0.549699  1
  P  P103  1  0.731905  0.950962  0.549699  1
  P  P104  1  0.981905  0.950962  0.549699  1
  P  P105  1  0.321516  0.963245  0.572472  1
  P  P106  1  0.571516  0.963245  0.572472  1
  P  P107  1  0.821516  0.963245  0.572472  1
  P  P108  1  0.071516  0.963245  0.572472  1
  P  P109  1  0.164737  0.024747  0.546706  1
  P  P110  1  0.414737  0.024747  0.546706  1
  P  P111  1  0.664737  0.024747  0.546706  1
  P  P112  1  0.914737  0.024747  0.546706  1
  P  P113  1  0.252072  1.012402  0.574566  1
  P  P114  1  0.502072  1.012402  0.574566  1
  P  P115  1  0.752072  1.012402  0.574566  1
  P  P116  1  1.002072  1.012402  0.574566  1
  P  P117  1  0.344590  0.025984  0.594962  1
  P  P118  1  0.594590  0.025984  0.594962  1
  P  P119  1  0.844590  0.025984  0.594962  1
  P  P120  1  0.094590  0.025984  0.594962  1
  P  P121  1  0.167151  0.926020  0.640894  1
  P  P122  1  0.417151  0.926020  0.640894  1
  P  P123  1  0.667151  0.926020  0.640894  1
  P  P124  1  0.917151  0.926020  0.640894  1
  P  P125  1  0.250594  0.958622  0.619573  1
  P  P126  1  0.500594  0.958622  0.619573  1
  P  P127  1  0.750594  0.958622  0.619573  1
  P  P128  1  1.000594  0.958622  0.619573  1
  P  P129  1  0.342940  0.972016  0.640082  1
  P  P130  1  0.592940  0.972016  0.640082  1
  P  P131  1  0.842940  0.972016  0.640082  1
  P  P132  1  0.092940  0.972016  0.640082  1
  P  P133  1  0.185397  0.041058  0.614201  1
  P  P134  1  0.435397  0.041058  0.614201  1
  P  P135  1  0.685397  0.041058  0.614201  1
  P  P136  1  0.935397  0.041058  0.614201  1
  P  P137  1  0.272342  0.022120  0.641290  1
  P  P138  1  0.522342  0.022120  0.641290  1
  P  P139  1  0.772342  0.022120  0.641290  1
  P  P140  1  0.022342  0.022120  0.641290  1
  P  P141  1  0.363610  0.035898  0.661015  1
  P  P142  1  0.613610  0.035898  0.661015  1
  P  P143  1  0.863610  0.035898  0.661015  1
  P  P144  1  0.113610  0.035898  0.661015  1
  P  P145  1  0.187221  0.939557  0.705236  1
  P  P146  1  0.437221  0.939557  0.705236  1
  P  P147  1  0.687221  0.939557  0.705236  1
  P  P148  1  0.937221  0.939557  0.705236  1
  P  P149  1  0.253995  0.909666  0.666364  1
  P  P150  1  0.503995  0.909666  0.666364  1
  P  P151  1  0.753995  0.909666  0.666364  1
  P  P152  1  1.003995  0.909666  0.666364  1
  P  P153  1  0.344757  0.922371  0.686689  1
  P  P154  1  0.594757  0.922371  0.686689  1
  P  P155  1  0.844757  0.922371  0.686689  1
  P  P156  1  0.094757  0.922371  0.686689  1
  P  P157  1  0.186834  0.990731  0.660378  1
  P  P158  1  0.436834  0.990731  0.660378  1
  P  P159  1  0.686834  0.990731  0.660378  1
  P  P160  1  0.936834  0.990731  0.660378  1
  P  P161  1  0.273223  0.971720  0.687970  1
  P  P162  1  0.523223  0.971720  0.687970  1
  P  P163  1  0.773223  0.971720  0.687970  1
  P  P164  1  0.023223  0.971720  0.687970  1
  P  P165  1  0.365324  0.985184  0.706384  1
  P  P166  1  0.615324  0.985184  0.706384  1
  P  P167  1  0.865324  0.985184  0.706384  1
  P  P168  1  0.115324  0.985184  0.706384  1
