data_[P4H8Cl4]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [5.5783]
_cell_length_b [7.7858]
_cell_length_c [7.3103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [PH2Cl]
_chemical_formula_sum '[P4 H8 Cl4]'
_cell_volume [317.4968]
_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  0.1936  0.9244  0.5176  1.0
  H  H1  4  0.1695  0.8754  0.7054  1.0
  H  H2  4  0.1717  0.2728  0.9732  1.0
  Cl  Cl3  4  0.0139  0.5885  0.0540  1.0
]