data_HgPCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.3
_cell_length_b   3.69
_cell_length_c   18.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgPCl3
_chemical_formula_sum   'Hg4 P4 Cl12'
_cell_volume   705.52
_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
  Hg  Hg12  1  0.0  0.92  0.56  1.0
  Hg  Hg13  1  0.45  0.77  0.83  1.0
  Hg  Hg14  1  0.3  0.77  0.99  1.0
  Hg  Hg15  1  0.85  0.92  0.72  1.0
  P  P16  1  0.89  0.92  0.06  1.0
  P  P17  1  0.56  0.77  0.33  1.0
  P  P18  1  0.41  0.77  0.48  1.0
  P  P19  1  0.74  0.92  0.21  1.0
  Cl  Cl0  1  0.59  0.92  0.04  1.0
  Cl  Cl1  1  0.56  0.77  0.77  1.0
  Cl  Cl2  1  0.72  0.77  0.5  1.0
  Cl  Cl3  1  0.74  0.92  0.77  1.0
  Cl  Cl4  1  0.14  0.92  0.43  1.0
  Cl  Cl5  1  0.01  0.77  0.7  1.0
  Cl  Cl6  1  0.16  0.77  0.11  1.0
  Cl  Cl7  1  0.3  0.92  0.84  1.0
  Cl  Cl8  1  0.14  0.92  0.26  1.0
  Cl  Cl9  1  0.02  0.77  0.99  1.0
  Cl  Cl10  1  0.17  0.77  0.28  1.0
  Cl  Cl11  1  0.29  0.92  0.55  1.0

data_HgPCl3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.69
_cell_length_b   10.3
_cell_length_c   18.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HgPCl3
_chemical_formula_sum   'Hg4 P4 Cl12'
_cell_volume   705.52
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Hg  Hg0  2  0.08  0.35  0.78  1.0
  Hg  Hg1  2  0.08  0.2  0.94  1.0
  P  P2  2  0.08  0.24  0.29  1.0
  P  P3  2  0.08  0.09  0.44  1.0
  Cl  Cl4  2  0.08  0.48  0.49  1.0
  Cl  Cl5  2  0.08  0.49  0.66  1.0
  Cl  Cl6  2  0.08  0.94  0.27  1.0
  Cl  Cl7  2  0.08  0.09  0.0  1.0
  Cl  Cl8  2  0.08  0.64  0.78  1.0
  Cl  Cl9  2  0.08  0.64  0.07  1.0

Hg Hg Hg Hg P P P P Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl