data_HgCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.7
_cell_length_b   3.95
_cell_length_c   4.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgCl
_chemical_formula_sum   'Hg2 Cl2'
_cell_volume   109.94
_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
  Hg  Hg2  1  0.03  0.97  0.85  1.0
  Hg  Hg3  1  0.68  0.97  0.31  1.0
  Cl  Cl0  1  0.03  0.0  0.92  1.0
  Cl  Cl1  1  0.68  0.0  0.24  1.0

data_HgCl
_symmetry_space_group_name_H-M   P2
_cell_length_a   4.15
_cell_length_b   3.95
_cell_length_c   6.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   HgCl
_chemical_formula_sum   'Hg2 Cl2'
_cell_volume   109.94
_cell_formula_units_Z   2
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  0.23  0.03  0.32  1.0
  Cl  Cl1  2  0.16  0.0  0.32  1.0

Hg Hg Cl Cl