data_[P2H2Cl2]
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 [P1]
_cell_length_a [4.9888]
_cell_length_b [5.5835]
_cell_length_c [6.6217]
_cell_angle_alpha [108.5370]
_cell_angle_beta [110.9365]
_cell_angle_gamma [98.6805]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [PHCl]
_chemical_formula_sum '[P2 H2 Cl2]'
_cell_volume [155.8746]
_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  0.1245  0.6171  0.9265  1.0
  P  P1  1  0.2815  0.5078  0.6416  1.0
  H  H2  1  0.0898  0.3573  0.9248  1.0
  H  H3  1  0.4286  0.7148  0.1043  1.0
  Cl  Cl4  1  0.3893  0.8838  0.6414  1.0
  Cl  Cl5  1  0.8589  0.3248  0.3547  1.0
]