data_[P4H20O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [6.8668]
_cell_length_b [12.3624]
_cell_length_c [4.6126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1850]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [PH5O]
_chemical_formula_sum '[P4 H20 O4]'
_cell_volume [391.4832]
_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  0.0034  0.3291  0.3056  1
  H  H1  4  0.3166  0.1248  0.8581  1
  H  H2  4  0.3302  0.4096  0.3328  1
  H  H3  4  0.4474  0.2197  0.5403  1
  H  H4  4  0.4656  0.4849  0.1510  1
  H  H5  4  0.4702  0.2658  0.9747  1
  O  O6  4  0.4598  0.4430  0.3378  1
]