# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.16997299
_cell_length_b   16.16655803
_cell_length_c   49.37109796
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   87.19426029
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P216
_cell_volume   12890.7657844
_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  0.136568  0.472643  0.305882  1
  P  P2  1  0.469902  0.139309  0.305882  1
  P  P3  1  0.458947  0.461699  0.336528  1
  P  P4  1  0.803235  0.805976  0.305882  1
  P  P5  1  0.792281  0.128365  0.336528  1
  P  P6  1  0.828026  0.497449  0.288964  1
  P  P7  1  0.125614  0.795032  0.336528  1
  P  P8  1  0.161359  0.164116  0.288964  1
  P  P9  1  0.494692  0.830782  0.288964  1
  P  P10  1  0.292281  0.628365  0.336528  1
  P  P11  1  0.625614  0.295032  0.336528  1
  P  P12  1  0.661359  0.664116  0.288964  1
  P  P13  1  0.958947  0.961699  0.336528  1
  P  P14  1  0.994692  0.330782  0.288964  1
  P  P15  1  0.969902  0.639309  0.305882  1
  P  P16  1  0.328026  0.997449  0.288964  1
  P  P17  1  0.303235  0.305976  0.305882  1
  P  P18  1  0.636568  0.972643  0.305882  1
  P  P19  1  0.161359  0.664116  0.288964  1
  P  P20  1  0.494692  0.330782  0.288964  1
  P  P21  1  0.469902  0.639309  0.305882  1
  P  P22  1  0.828026  0.997449  0.288964  1
  P  P23  1  0.803235  0.305976  0.305882  1
  P  P24  1  0.792281  0.628365  0.336528  1
  P  P25  1  0.136568  0.972643  0.305882  1
  P  P26  1  0.125614  0.295032  0.336528  1
  P  P27  1  0.458947  0.961699  0.336528  1
  P  P28  1  0.328026  0.497449  0.288964  1
  P  P29  1  0.661359  0.164116  0.288964  1
  P  P30  1  0.636568  0.472643  0.305882  1
  P  P31  1  0.994692  0.830782  0.288964  1
  P  P32  1  0.969902  0.139309  0.305882  1
  P  P33  1  0.958947  0.461699  0.336528  1
  P  P34  1  0.303235  0.805976  0.305882  1
  P  P35  1  0.292281  0.128365  0.336528  1
  P  P36  1  0.625614  0.795032  0.336528  1
  P  P37  1  0.091733  0.427815  0.384280  1
  P  P38  1  0.425066  0.094482  0.384280  1
  P  P39  1  0.402682  0.405426  0.403142  1
  P  P40  1  0.758400  0.761149  0.384280  1
  P  P41  1  0.736015  0.072092  0.403142  1
  P  P42  1  0.769401  0.438812  0.354290  1
  P  P43  1  0.069348  0.738759  0.403142  1
  P  P44  1  0.102734  0.105478  0.354290  1
  P  P45  1  0.436068  0.772145  0.354290  1
  P  P46  1  0.236015  0.572092  0.403142  1
  P  P47  1  0.569348  0.238759  0.403142  1
  P  P48  1  0.602734  0.605478  0.354290  1
  P  P49  1  0.902682  0.905426  0.403142  1
  P  P50  1  0.936068  0.272145  0.354290  1
  P  P51  1  0.925066  0.594482  0.384280  1
  P  P52  1  0.269401  0.938812  0.354290  1
  P  P53  1  0.258400  0.261149  0.384280  1
  P  P54  1  0.591733  0.927815  0.384280  1
  P  P55  1  0.102734  0.605478  0.354290  1
  P  P56  1  0.436068  0.272145  0.354290  1
  P  P57  1  0.425066  0.594482  0.384280  1
  P  P58  1  0.769401  0.938812  0.354290  1
  P  P59  1  0.758400  0.261149  0.384280  1
  P  P60  1  0.736015  0.572092  0.403142  1
  P  P61  1  0.091733  0.927815  0.384280  1
  P  P62  1  0.069348  0.238759  0.403142  1
  P  P63  1  0.402682  0.905426  0.403142  1
  P  P64  1  0.269401  0.438812  0.354290  1
  P  P65  1  0.602734  0.105478  0.354290  1
  P  P66  1  0.591733  0.427815  0.384280  1
  P  P67  1  0.936068  0.772145  0.354290  1
  P  P68  1  0.925066  0.094482  0.384280  1
  P  P69  1  0.902682  0.405426  0.403142  1
  P  P70  1  0.258400  0.761149  0.384280  1
  P  P71  1  0.236015  0.072092  0.403142  1
  P  P72  1  0.569348  0.738759  0.403142  1
  P  P73  1  0.035649  0.371727  0.451618  1
  P  P74  1  0.368983  0.038393  0.451618  1
  P  P75  1  0.356739  0.359487  0.480389  1
  P  P76  1  0.702316  0.705060  0.451618  1
  P  P77  1  0.690072  0.026153  0.480389  1
  P  P78  1  0.724144  0.393559  0.432272  1
  P  P79  1  0.023406  0.692820  0.480389  1
  P  P80  1  0.057477  0.060226  0.432272  1
  P  P81  1  0.390811  0.726892  0.432272  1
  P  P82  1  0.190072  0.526153  0.480389  1
  P  P83  1  0.523406  0.192820  0.480389  1
  P  P84  1  0.557477  0.560226  0.432272  1
  P  P85  1  0.856739  0.859487  0.480389  1
  P  P86  1  0.890811  0.226892  0.432272  1
  P  P87  1  0.868983  0.538393  0.451618  1
  P  P88  1  0.224144  0.893559  0.432272  1
  P  P89  1  0.202316  0.205060  0.451618  1
  P  P90  1  0.535649  0.871727  0.451618  1
  P  P91  1  0.057477  0.560226  0.432272  1
  P  P92  1  0.390811  0.226892  0.432272  1
  P  P93  1  0.368983  0.538393  0.451618  1
  P  P94  1  0.724144  0.893559  0.432272  1
  P  P95  1  0.702316  0.205060  0.451618  1
  P  P96  1  0.690072  0.526153  0.480389  1
  P  P97  1  0.035649  0.871727  0.451618  1
  P  P98  1  0.023406  0.192820  0.480389  1
  P  P99  1  0.356739  0.859487  0.480389  1
  P  P100  1  0.224144  0.393559  0.432272  1
  P  P101  1  0.557477  0.060226  0.432272  1
  P  P102  1  0.535649  0.371727  0.451618  1
  P  P103  1  0.890811  0.726892  0.432272  1
  P  P104  1  0.868983  0.038393  0.451618  1
  P  P105  1  0.856739  0.359487  0.480389  1
  P  P106  1  0.202316  0.705060  0.451618  1
  P  P107  1  0.190072  0.026153  0.480389  1
  P  P108  1  0.523406  0.692820  0.480389  1
  P  P109  1  0.989491  0.325571  0.528671  1
  P  P110  1  0.322824  0.992238  0.528671  1
  P  P111  1  0.300996  0.303739  0.548017  1
  P  P112  1  0.656157  0.658905  0.528671  1
  P  P113  1  0.634329  0.970406  0.548017  1
  P  P114  1  0.668401  0.337811  0.499899  1
  P  P115  1  0.967663  0.637072  0.548017  1
  P  P116  1  1.001734  1.004478  0.499899  1
  P  P117  1  0.335068  0.671145  0.499899  1
  P  P118  1  0.134329  0.470406  0.548017  1
  P  P119  1  0.467663  0.137072  0.548017  1
  P  P120  1  0.501734  0.504478  0.499899  1
  P  P121  1  0.800996  0.803739  0.548017  1
  P  P122  1  0.835068  0.171145  0.499899  1
  P  P123  1  0.822824  0.492238  0.528671  1
  P  P124  1  0.168401  0.837811  0.499899  1
  P  P125  1  0.156157  0.158905  0.528671  1
  P  P126  1  0.489491  0.825571  0.528671  1
  P  P127  1  1.001734  0.504478  0.499899  1
  P  P128  1  0.335068  0.171145  0.499899  1
  P  P129  1  0.322824  0.492238  0.528671  1
  P  P130  1  0.668401  0.837811  0.499899  1
  P  P131  1  0.656157  0.158905  0.528671  1
  P  P132  1  0.634329  0.470406  0.548017  1
  P  P133  1  0.989491  0.825571  0.528671  1
  P  P134  1  0.967663  0.137072  0.548017  1
  P  P135  1  0.300996  0.803739  0.548017  1
  P  P136  1  0.168401  0.337811  0.499899  1
  P  P137  1  0.501734  1.004478  0.499899  1
  P  P138  1  0.489491  0.325571  0.528671  1
  P  P139  1  0.835068  0.671145  0.499899  1
  P  P140  1  0.822824  0.992238  0.528671  1
  P  P141  1  0.800996  0.303739  0.548017  1
  P  P142  1  0.156157  0.658905  0.528671  1
  P  P143  1  0.134329  0.970406  0.548017  1
  P  P144  1  0.467663  0.637072  0.548017  1
  P  P145  1  0.933407  0.269482  0.596009  1
  P  P146  1  0.266741  0.936149  0.596009  1
  P  P147  1  0.255739  0.258486  0.625998  1
  P  P148  1  0.600074  0.602816  0.596009  1
  P  P149  1  0.589072  0.925153  0.625998  1
  P  P150  1  0.622459  0.291872  0.577147  1
  P  P151  1  0.922406  0.591820  0.625998  1
  P  P152  1  0.955792  0.958539  0.577147  1
  P  P153  1  0.289125  0.625205  0.577147  1
  P  P154  1  0.089072  0.425153  0.625998  1
  P  P155  1  0.422406  0.091820  0.625998  1
  P  P156  1  0.455792  0.458539  0.577147  1
  P  P157  1  0.755739  0.758486  0.625998  1
  P  P158  1  0.789125  0.125205  0.577147  1
  P  P159  1  0.766741  0.436149  0.596009  1
  P  P160  1  0.122459  0.791872  0.577147  1
  P  P161  1  0.100074  0.102816  0.596009  1
  P  P162  1  0.433407  0.769482  0.596009  1
  P  P163  1  0.955792  0.458539  0.577147  1
  P  P164  1  0.289125  0.125205  0.577147  1
  P  P165  1  0.266741  0.436149  0.596009  1
  P  P166  1  0.622459  0.791872  0.577147  1
  P  P167  1  0.600074  0.102816  0.596009  1
  P  P168  1  0.589072  0.425153  0.625998  1
  P  P169  1  0.933407  0.769482  0.596009  1
  P  P170  1  0.922406  0.091820  0.625998  1
  P  P171  1  0.255739  0.758486  0.625998  1
  P  P172  1  0.122459  0.291872  0.577147  1
  P  P173  1  0.455792  0.958539  0.577147  1
  P  P174  1  0.433407  0.269482  0.596009  1
  P  P175  1  0.789125  0.625205  0.577147  1
  P  P176  1  0.766741  0.936149  0.596009  1
  P  P177  1  0.755739  0.258486  0.625998  1
  P  P178  1  0.100074  0.602816  0.596009  1
  P  P179  1  0.089072  0.925153  0.625998  1
  P  P180  1  0.422406  0.591820  0.625998  1
  P  P181  1  0.888572  0.224655  0.674407  1
  P  P182  1  0.221905  0.891322  0.674407  1
  P  P183  1  0.197114  0.199849  0.691325  1
  P  P184  1  0.555238  0.557989  0.674407  1
  P  P185  1  0.530448  0.866516  0.691325  1
  P  P186  1  0.566193  0.235599  0.643760  1
  P  P187  1  0.863781  0.533182  0.691325  1
  P  P188  1  0.899526  0.902266  0.643760  1
  P  P189  1  0.232859  0.568933  0.643760  1
  P  P190  1  0.030448  0.366516  0.691325  1
  P  P191  1  0.363781  0.033182  0.691325  1
  P  P192  1  0.399526  0.402266  0.643760  1
  P  P193  1  0.697114  0.699849  0.691325  1
  P  P194  1  0.732859  0.068933  0.643760  1
  P  P195  1  0.721905  0.391322  0.674407  1
  P  P196  1  0.066193  0.735599  0.643760  1
  P  P197  1  0.055238  0.057989  0.674407  1
  P  P198  1  0.388572  0.724655  0.674407  1
  P  P199  1  0.899526  0.402266  0.643760  1
  P  P200  1  0.232859  0.068933  0.643760  1
  P  P201  1  0.221905  0.391322  0.674407  1
  P  P202  1  0.566193  0.735599  0.643760  1
  P  P203  1  0.555238  0.057989  0.674407  1
  P  P204  1  0.530448  0.366516  0.691325  1
  P  P205  1  0.888572  0.724655  0.674407  1
  P  P206  1  0.863781  0.033182  0.691325  1
  P  P207  1  0.197114  0.699849  0.691325  1
  P  P208  1  0.066193  0.235599  0.643760  1
  P  P209  1  0.399526  0.902266  0.643760  1
  P  P210  1  0.388572  0.224655  0.674407  1
  P  P211  1  0.732859  0.568933  0.643760  1
  P  P212  1  0.721905  0.891322  0.674407  1
  P  P213  1  0.697114  0.199849  0.691325  1
  P  P214  1  0.055238  0.557989  0.674407  1
  P  P215  1  0.030448  0.866516  0.691325  1
  P  P216  1  0.363781  0.533182  0.691325  1
