data_[P8H1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.1040]
_cell_length_b [6.1554]
_cell_length_c [6.6126]
_cell_angle_alpha [105.5656]
_cell_angle_beta [105.1285]
_cell_angle_gamma [113.7041]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [P8H]
_chemical_formula_sum '[P8 H1]'
_cell_volume [199.0639]
_cell_formula_units_Z [1]
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  P0  1  0.0140  0.4226  0.1861  1
  P  P1  1  0.0155  0.4179  0.6828  1
  P  P2  1  0.2724  0.4276  0.0004  1
  P  P3  1  0.3058  0.4734  0.5162  1
  P  P4  1  0.5192  0.9199  0.6851  1
  P  P5  1  0.5553  0.8677  0.1850  1
  P  P6  1  0.8264  0.9851  0.0084  1
  P  P7  1  0.8289  0.9810  0.5478  1
  H  H8  1  0.4127  0.0049  0.1882  1
]