data_[P1H6Pb1C1Cl3]
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
  Pb  2.3300  1.8000  1.1225
  C  2.5500  0.7000  0.3000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.9013]
_cell_length_b [5.8803]
_cell_length_c [5.9752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2702]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [PH6PbCCl3]
_chemical_formula_sum '[P1 H6 Pb1 C1 Cl3]'
_cell_volume [206.1083]
_cell_formula_units_Z [1]
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  0.8911  0.0000  0.1045  1.0
  H  H1  2  0.0693  0.1529  0.7971  1.0
  H  H2  2  0.9202  0.1941  0.2439  1.0
  H  H3  1  0.2649  0.0000  0.9937  1.0
  H  H4  1  0.6687  0.0000  0.9954  1.0
  Pb  Pb5  1  0.4979  0.5000  0.5095  1.0
  C  C6  1  0.0934  0.0000  0.9022  1.0
  Cl  Cl7  1  0.0059  0.5000  0.5095  1.0
  Cl  Cl8  1  0.5025  0.0000  0.4691  1.0
  Cl  Cl9  1  0.5493  0.5000  0.9646  1.0
]