data_[P2H12Cl6]
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 [C2/m]
_cell_length_a [16.8470]
_cell_length_b [4.7511]
_cell_length_c [4.8966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5416]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [P(H2Cl)3]
_chemical_formula_sum '[P2 H12 Cl6]'
_cell_volume [387.5879]
_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  2  0.0000  0.0000  0.0000  1
  H  H1  8  0.0033  0.2250  0.2216  1
  H  H2  4  0.1511  0.0000  0.8877  1
  Cl  Cl3  4  0.1961  0.0000  0.6944  1
  Cl  Cl4  2  0.0000  0.5000  0.5000  1
]