# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44588388
_cell_length_b   16.32418539
_cell_length_c   47.20390768
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.85091421
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P84
_cell_volume   4928.35987139
_cell_formula_units_Z   84
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  0.326513  0.808567  0.314091  1
  P  P2  1  0.160593  0.135658  0.329519  1
  P  P3  1  0.482487  0.481495  0.298699  1
  P  P4  1  0.982487  0.981495  0.298699  1
  P  P5  1  0.826513  0.308567  0.314091  1
  P  P6  1  0.660593  0.635658  0.329519  1
  P  P7  1  0.482487  0.981495  0.298699  1
  P  P8  1  0.326513  0.308567  0.314091  1
  P  P9  1  0.160593  0.635658  0.329519  1
  P  P10  1  0.826513  0.808567  0.314091  1
  P  P11  1  0.660593  0.135658  0.329519  1
  P  P12  1  0.982487  0.481495  0.298699  1
  P  P13  1  0.069117  0.783406  0.375626  1
  P  P14  1  0.909086  0.110322  0.391413  1
  P  P15  1  0.225821  0.456630  0.359700  1
  P  P16  1  0.725821  0.956630  0.359700  1
  P  P17  1  0.569117  0.283406  0.375626  1
  P  P18  1  0.409086  0.610322  0.391413  1
  P  P19  1  0.225821  0.956630  0.359700  1
  P  P20  1  0.069117  0.283406  0.375626  1
  P  P21  1  0.909086  0.610322  0.391413  1
  P  P22  1  0.569117  0.783406  0.375626  1
  P  P23  1  0.409086  0.110322  0.391413  1
  P  P24  1  0.725821  0.456630  0.359700  1
  P  P25  1  0.809552  0.757797  0.437735  1
  P  P26  1  0.652219  0.084535  0.453589  1
  P  P27  1  0.965748  0.431093  0.421803  1
  P  P28  1  0.465748  0.931093  0.421803  1
  P  P29  1  0.309552  0.257797  0.437735  1
  P  P30  1  0.152219  0.584535  0.453589  1
  P  P31  1  0.965748  0.931093  0.421803  1
  P  P32  1  0.809552  0.257797  0.437735  1
  P  P33  1  0.652219  0.584535  0.453589  1
  P  P34  1  0.309552  0.757797  0.437735  1
  P  P35  1  0.152219  0.084535  0.453589  1
  P  P36  1  0.465748  0.431093  0.421803  1
  P  P37  1  0.549124  0.731934  0.499813  1
  P  P38  1  0.392844  0.058611  0.515725  1
  P  P39  1  0.705403  0.405256  0.483901  1
  P  P40  1  0.205403  0.905256  0.483901  1
  P  P41  1  0.049124  0.231934  0.499813  1
  P  P42  1  0.892844  0.558611  0.515725  1
  P  P43  1  0.705403  0.905256  0.483901  1
  P  P44  1  0.549124  0.231934  0.499813  1
  P  P45  1  0.392844  0.558611  0.515725  1
  P  P46  1  0.049124  0.731934  0.499813  1
  P  P47  1  0.892844  0.058611  0.515725  1
  P  P48  1  0.205403  0.405256  0.483901  1
  P  P49  1  0.288696  0.706070  0.561891  1
  P  P50  1  0.132500  0.032774  0.577823  1
  P  P51  1  0.446029  0.379332  0.546037  1
  P  P52  1  0.946029  0.879332  0.546037  1
  P  P53  1  0.788696  0.206070  0.561891  1
  P  P54  1  0.632500  0.532774  0.577823  1
  P  P55  1  0.446029  0.879332  0.546037  1
  P  P56  1  0.288696  0.206070  0.561891  1
  P  P57  1  0.132500  0.532774  0.577823  1
  P  P58  1  0.788696  0.706070  0.561891  1
  P  P59  1  0.632500  0.032774  0.577823  1
  P  P60  1  0.946029  0.379332  0.546037  1
  P  P61  1  0.029130  0.680462  0.624000  1
  P  P62  1  0.872426  0.007238  0.639926  1
  P  P63  1  0.189162  0.353545  0.608213  1
  P  P64  1  0.689162  0.853545  0.608213  1
  P  P65  1  0.529130  0.180462  0.624000  1
  P  P66  1  0.372426  0.507238  0.639926  1
  P  P67  1  0.189162  0.853545  0.608213  1
  P  P68  1  0.029130  0.180462  0.624000  1
  P  P69  1  0.872426  0.507238  0.639926  1
  P  P70  1  0.529130  0.680462  0.624000  1
  P  P71  1  0.372426  0.007238  0.639926  1
  P  P72  1  0.689162  0.353545  0.608213  1
  P  P73  1  0.771734  0.655301  0.685535  1
  P  P74  1  0.615761  0.982373  0.700927  1
  P  P75  1  0.937654  0.328209  0.670107  1
  P  P76  1  0.437654  0.828209  0.670107  1
  P  P77  1  0.271734  0.155301  0.685535  1
  P  P78  1  0.115761  0.482373  0.700927  1
  P  P79  1  0.937654  0.828209  0.670107  1
  P  P80  1  0.771734  0.155301  0.685535  1
  P  P81  1  0.615761  0.482373  0.700927  1
  P  P82  1  0.271734  0.655301  0.685535  1
  P  P83  1  0.115761  0.982373  0.700927  1
  P  P84  1  0.437654  0.328209  0.670107  1
