# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.74436967
_cell_length_b   16.51713712
_cell_length_c   16.70808366
_cell_angle_alpha   94.11353515
_cell_angle_beta   98.72841968
_cell_angle_gamma   100.18562517
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P47
_cell_volume   4472.30586428
_cell_formula_units_Z   47
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  0.287503  0.501960  0.685054  1
  P  P2  1  0.787503  0.501960  0.685054  1
  P  P3  1  0.214562  0.498434  0.316823  1
  P  P4  1  0.714562  0.498434  0.316823  1
  P  P5  1  0.173973  0.451445  0.813569  1
  P  P6  1  0.673973  0.451445  0.813569  1
  P  P7  1  0.328092  0.548949  0.188308  1
  P  P8  1  0.828092  0.548949  0.188308  1
  P  P9  1  0.254042  0.637747  0.810380  1
  P  P10  1  0.754042  0.637747  0.810380  1
  P  P11  1  0.248023  0.362647  0.191498  1
  P  P12  1  0.748023  0.362647  0.191498  1
  P  P13  1  0.364258  0.511312  0.869743  1
  P  P14  1  0.864258  0.511312  0.869743  1
  P  P15  1  0.137807  0.489082  0.132135  1
  P  P16  1  0.637807  0.489082  0.132135  1
  P  P17  1  0.135288  0.870295  0.558364  1
  P  P18  1  0.635288  0.870295  0.558364  1
  P  P19  1  0.366777  0.130099  0.443514  1
  P  P20  1  0.866777  0.130099  0.443514  1
  P  P21  1  0.047629  0.683745  0.535255  1
  P  P22  1  0.547629  0.683745  0.535255  1
  P  P23  1  0.454436  0.316649  0.466623  1
  P  P24  1  0.954436  0.316649  0.466623  1
  P  P25  1  0.007330  0.805965  0.669533  1
  P  P26  1  0.507330  0.805965  0.669533  1
  P  P27  1  0.494735  0.194429  0.332344  1
  P  P28  1  0.994735  0.194429  0.332344  1
  P  P29  1  0.447334  0.820923  0.484776  1
  P  P30  1  0.947334  0.820923  0.484776  1
  P  P31  1  0.054731  0.179471  0.517101  1
  P  P32  1  0.554731  0.179471  0.517101  1
  P  P33  1  0.399462  0.183943  0.964597  1
  P  P34  1  0.901071  0.184427  0.966826  1
  P  P35  1  0.100994  0.815967  0.035051  1
  P  P36  1  0.600994  0.815967  0.035051  1
  P  P37  1  0.224488  0.128190  0.868816  1
  P  P38  1  0.721941  0.127406  0.868778  1
  P  P39  1  0.280124  0.872988  0.133100  1
  P  P40  1  0.780124  0.872988  0.133100  1
  P  P41  1  0.852131  0.012934  0.860724  1
  P  P42  1  0.149934  0.987460  0.141153  1
  P  P43  1  0.649934  0.987460  0.141153  1
  P  P44  1  0.369214  0.177065  0.778342  1
  P  P45  1  0.870106  0.177382  0.776156  1
  P  P46  1  0.131959  0.823012  0.225722  1
  P  P47  1  0.631959  0.823012  0.225722  1
