data_[P2H4F2]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.4219]
_cell_length_b [5.3931]
_cell_length_c [5.5495]
_cell_angle_alpha [85.5127]
_cell_angle_beta [89.8412]
_cell_angle_gamma [72.9662]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [PH2F]
_chemical_formula_sum '[P2 H4 F2]'
_cell_volume [97.5998]
_cell_formula_units_Z [2]
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  0.3198  0.1964  0.5091  1.0
  P  P1  1  0.7320  0.3853  0.6919  1.0
  H  H2  1  0.0022  0.8469  0.1158  1.0
  H  H3  1  0.2315  0.3911  0.3127  1.0
  H  H4  1  0.6042  0.6605  0.6724  1.0
  H  H5  1  0.7749  0.2916  0.9403  1.0
  F  F6  1  0.0975  0.6768  0.0247  1.0
  F  F7  1  0.8839  0.0608  0.2204  1.0
]