# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24091620
_cell_length_b   8.91284670
_cell_length_c   43.37713873
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.76854417
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P21
_cell_volume   1233.05825304
_cell_formula_units_Z   21
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  0.510107  1.004359  0.352177  1
  P  P2  1  0.176774  0.671026  0.352177  1
  P  P3  1  0.843441  0.337693  0.352177  1
  P  P4  1  0.400028  0.217032  0.414194  1
  P  P5  1  0.066695  0.883699  0.414194  1
  P  P6  1  0.733361  0.550366  0.414194  1
  P  P7  1  0.289899  0.429669  0.476953  1
  P  P8  1  0.956565  0.096335  0.476953  1
  P  P9  1  0.623232  0.763002  0.476953  1
  P  P10  1  0.179773  0.642307  0.539659  1
  P  P11  1  0.846439  0.308973  0.539659  1
  P  P12  1  0.513106  0.975640  0.539659  1
  P  P13  1  0.069647  0.854945  0.602364  1
  P  P14  1  0.736314  0.521611  0.602364  1
  P  P15  1  0.402980  0.188278  0.602364  1
  P  P16  1  0.959518  0.067581  0.665123  1
  P  P17  1  0.626184  0.734248  0.665123  1
  P  P18  1  0.292851  0.400914  0.665123  1
  P  P19  1  0.849438  0.280254  0.727140  1
  P  P20  1  0.516105  0.946921  0.727140  1
  P  P21  1  0.182772  0.613587  0.727140  1
