# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.78740729
_cell_length_b   48.92284802
_cell_length_c   45.87409266
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   87.32820029
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P108
_cell_volume   51085.9850827
_cell_formula_units_Z   108
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  0.499313  0.008019  0.319058  1
  P  P2  1  0.999313  0.008019  0.319058  1
  P  P3  1  0.627626  0.031939  0.333936  1
  P  P4  1  0.127626  0.031939  0.333936  1
  P  P5  1  0.752907  -0.003805  0.326819  1
  P  P6  1  0.252907  -0.003805  0.326819  1
  P  P7  1  0.386281  0.971540  0.341371  1
  P  P8  1  0.886281  0.971540  0.341371  1
  P  P9  1  0.621899  0.971009  0.310468  1
  P  P10  1  0.121899  0.971009  0.310468  1
  P  P11  1  0.742036  0.935323  0.303770  1
  P  P12  1  0.242036  0.935323  0.303770  1
  P  P13  1  0.399175  0.033103  0.361378  1
  P  P14  1  0.899175  0.033103  0.361378  1
  P  P15  1  0.535706  0.021422  0.385470  1
  P  P16  1  0.035706  0.021422  0.385470  1
  P  P17  1  0.659851  0.981251  0.377685  1
  P  P18  1  0.159851  0.981251  0.377685  1
  P  P19  1  0.277545  0.939851  0.369470  1
  P  P20  1  0.777545  0.939851  0.369470  1
  P  P21  1  0.526422  0.958258  0.362874  1
  P  P22  1  0.026422  0.958258  0.362874  1
  P  P23  1  0.645755  0.919004  0.353897  1
  P  P24  1  0.145755  0.919004  0.353897  1
  P  P25  1  0.295472  0.000908  0.393390  1
  P  P26  1  0.795472  0.000908  0.393390  1
  P  P27  1  0.429994  0.985094  0.408772  1
  P  P28  1  0.929994  0.985094  0.408772  1
  P  P29  1  0.569650  0.971309  0.430749  1
  P  P30  1  0.069650  0.971309  0.430749  1
  P  P31  1  0.183391  0.927307  0.421706  1
  P  P32  1  0.683391  0.927307  0.421706  1
  P  P33  1  0.416514  0.922570  0.387856  1
  P  P34  1  0.916514  0.922570  0.387856  1
  P  P35  1  0.551773  0.908887  0.408757  1
  P  P36  1  0.051773  0.908887  0.408757  1
  P  P37  1  0.206542  0.988075  0.445971  1
  P  P38  1  0.706542  0.988075  0.445971  1
  P  P39  1  0.340818  0.003901  0.462652  1
  P  P40  1  0.840818  0.003901  0.462652  1
  P  P41  1  0.478553  0.002739  0.474777  1
  P  P42  1  0.978553  0.002739  0.474777  1
  P  P43  1  0.090545  0.922339  0.477741  1
  P  P44  1  0.590545  0.922339  0.477741  1
  P  P45  1  0.319979  0.945071  0.435854  1
  P  P46  1  0.819979  0.945071  0.435854  1
  P  P47  1  0.458590  0.937804  0.455310  1
  P  P48  1  0.958590  0.937804  0.455310  1
  P  P49  1  0.112708  0.986021  0.497958  1
  P  P50  1  0.612708  0.986021  0.497958  1
  P  P51  1  0.250704  0.993046  0.515780  1
  P  P52  1  0.750704  0.993046  0.515780  1
  P  P53  1  0.387157  0.006905  0.531079  1
  P  P54  1  0.887157  0.006905  0.531079  1
  P  P55  1  0.999013  0.955736  0.522522  1
  P  P56  1  0.499013  0.955736  0.522522  1
  P  P57  1  0.224564  0.934852  0.489402  1
  P  P58  1  0.724564  0.934852  0.489402  1
  P  P59  1  0.361016  0.948711  0.504701  1
  P  P60  1  0.861016  0.948711  0.504701  1
  P  P61  1  0.021175  0.019417  0.542739  1
  P  P62  1  0.521175  0.019417  0.542739  1
  P  P63  1  0.153130  0.003953  0.565171  1
  P  P64  1  0.653130  0.003953  0.565171  1
  P  P65  1  0.291742  -0.003314  0.584627  1
  P  P66  1  0.791742  -0.003314  0.584627  1
  P  P67  1  0.905179  0.953682  0.574510  1
  P  P68  1  0.405179  0.953682  0.574510  1
  P  P69  1  0.133167  0.939017  0.545704  1
  P  P70  1  0.633167  0.939017  0.545704  1
  P  P71  1  0.270903  0.937856  0.557828  1
  P  P72  1  0.770903  0.937856  0.557828  1
  P  P73  1  0.928329  0.014450  0.598774  1
  P  P74  1  0.428329  0.014450  0.598774  1
  P  P75  1  0.059948  0.032870  0.611723  1
  P  P76  1  0.559948  0.032870  0.611723  1
  P  P77  1  0.195207  0.019187  0.632625  1
  P  P78  1  0.695207  0.019187  0.632625  1
  P  P79  1  0.816248  0.940849  0.627091  1
  P  P80  1  0.316248  0.940849  0.627091  1
  P  P81  1  0.042071  0.970447  0.589731  1
  P  P82  1  0.542071  0.970447  0.589731  1
  P  P83  1  0.181726  0.956663  0.611709  1
  P  P84  1  0.681726  0.956663  0.611709  1
  P  P85  1  0.834176  0.001906  0.651010  1
  P  P86  1  0.334176  0.001906  0.651010  1
  P  P87  1  0.965966  0.022753  0.666583  1
  P  P88  1  0.465966  0.022753  0.666583  1
  P  P89  1  0.085299  0.983499  0.657607  1
  P  P90  1  0.585299  0.983499  0.657607  1
  P  P91  1  0.712546  0.908653  0.659103  1
  P  P92  1  0.212546  0.908653  0.659103  1
  P  P93  1  0.951870  0.960506  0.642796  1
  P  P94  1  0.451870  0.960506  0.642796  1
  P  P95  1  0.076014  0.920335  0.635011  1
  P  P96  1  0.576014  0.920335  0.635011  1
  P  P97  1  0.725440  0.970217  0.679110  1
  P  P98  1  0.225440  0.970217  0.679110  1
  P  P99  1  0.869685  0.006434  0.716710  1
  P  P100  1  0.369685  0.006434  0.716710  1
  P  P101  1  0.989822  0.970748  0.710013  1
  P  P102  1  0.489822  0.970748  0.710013  1
  P  P103  1  0.612408  0.933738  0.701423  1
  P  P104  1  0.112408  0.933738  0.701423  1
  P  P105  1  0.858814  0.945562  0.693662  1
  P  P106  1  0.358814  0.945562  0.693662  1
  P  P107  1  0.984095  0.909818  0.686544  1
  P  P108  1  0.484095  0.909818  0.686544  1
