data_[P4H12F4]
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 [P2_1/c]
_cell_length_a [6.3800]
_cell_length_b [8.2335]
_cell_length_c [5.1460]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4892]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PH3F]
_chemical_formula_sum '[P4 H12 F4]'
_cell_volume [260.5032]
_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  0.2347  0.2437  0.5413  1.0
  H  H1  4  0.0762  0.6572  0.5319  1.0
  H  H2  4  0.2694  0.0728  0.5530  1.0
  H  H3  4  0.4560  0.2078  0.1156  1.0
  F  F4  4  0.2237  0.6165  0.5564  1.0
]