data_[P20H4]
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 [Pmc2_1]
_cell_length_a [6.5710]
_cell_length_b [6.3959]
_cell_length_c [11.9889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [P5H]
_chemical_formula_sum '[P20 H4]'
_cell_volume [503.8619]
_cell_formula_units_Z [4]
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  4  0.2388  0.2271  0.6240  1
  P  P1  4  0.2538  0.4408  0.7736  1
  P  P2  2  0.0000  0.2950  0.0388  1
  P  P3  2  0.0000  0.3569  0.2112  1
  P  P4  2  0.0000  0.3714  0.5127  1
  P  P5  2  0.5000  0.1151  0.3721  1
  P  P6  2  0.5000  0.3148  0.5162  1
  P  P7  2  0.5000  0.3281  0.2313  1
  H  H8  2  0.0000  0.1771  0.2817  1
  H  H9  2  0.5000  0.4655  0.9923  1
]