# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22689953
_cell_length_b   13.44918351
_cell_length_c   42.96595987
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P33
_cell_volume   1864.68673426
_cell_formula_units_Z   33
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  0.561659  1.003822  0.349655  1
  P  P2  1  0.060588  0.797339  0.333540  1
  P  P3  1  0.562256  0.396399  0.333157  1
  P  P4  1  0.558612  0.824728  0.400596  1
  P  P5  1  0.561350  0.610690  0.366227  1
  P  P6  1  0.062254  0.210857  0.366012  1
  P  P7  1  0.060716  0.638646  0.434382  1
  P  P8  1  0.061853  0.424788  0.400174  1
  P  P9  1  0.060840  0.031787  0.417219  1
  P  P10  1  0.561314  0.452690  0.468459  1
  P  P11  1  0.562105  0.238659  0.433997  1
  P  P12  1  0.053981  0.852698  0.468785  1
  P  P13  1  0.061830  0.266624  0.502316  1
  P  P14  1  0.558674  0.059683  0.485451  1
  P  P15  1  0.559032  0.666575  0.502741  1
  P  P16  1  0.053369  0.087597  0.553628  1
  P  P17  1  0.544244  0.880552  0.536929  1
  P  P18  1  0.060083  0.480610  0.536756  1
  P  P19  1  0.024535  0.908398  0.605034  1
  P  P20  1  0.055568  0.694490  0.571104  1
  P  P21  1  0.561210  0.294610  0.570659  1
  P  P22  1  0.549280  0.722610  0.639566  1
  P  P23  1  0.557299  0.508556  0.605093  1
  P  P24  1  0.540452  0.115460  0.621762  1
  P  P25  1  0.051627  0.536693  0.673434  1
  P  P26  1  0.059704  0.322545  0.639101  1
  P  P27  1  0.486403  0.936379  0.673150  1
  P  P28  1  0.556224  0.350566  0.707402  1
  P  P29  1  0.009035  0.143080  0.689918  1
  P  P30  1  0.039930  0.751235  0.707859  1
  P  P31  1  0.437876  0.171923  0.756931  1
  P  P32  1  0.916344  0.965303  0.740865  1
  P  P33  1  0.542696  0.565104  0.740393  1
