data_[P4H12Cl8]
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/c]
_cell_length_a [8.0854]
_cell_length_b [7.5142]
_cell_length_c [7.6585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.5976]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PH3Cl2]
_chemical_formula_sum '[P4 H12 Cl8]'
_cell_volume [404.5798]
_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  0.0000  0.3855  0.2500  1.0
  H  H1  8  0.0863  0.2906  0.4319  1.0
  H  H2  4  0.0000  0.4282  0.7500  1.0
  Cl  Cl3  8  0.2291  0.1128  0.7579  1.0
]