data_CdHgCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17
_cell_length_b   3.83
_cell_length_c   6.57
_cell_angle_alpha   90.0
_cell_angle_beta   104.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdHgCl2
_chemical_formula_sum   'Cd1 Hg1 Cl2'
_cell_volume   101.28
_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
  Cd  Cd0  1  0.16  0.0  0.99  1.0
  Hg  Hg3  1  0.7  0.91  0.26  1.0
  Cl  Cl1  1  0.96  0.91  0.48  1.0
  Cl  Cl2  1  0.07  0.0  0.8  1.0

data_CdHgCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   4.17
_cell_length_c   6.57
_cell_angle_alpha   104.85
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdHgCl2
_chemical_formula_sum   'Cd1 Hg1 Cl2'
_cell_volume   101.28
_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
  Cd  Cd0  1  0.0  0.84  0.01  1.0
  Hg  Hg1  1  0.09  0.3  0.74  1.0
  Cl  Cl2  1  0.0  0.93  0.2  1.0
  Cl  Cl3  1  0.09  0.04  0.52  1.0

Cd Hg Cl Cl
Cd Hg Cl Cl 0 3 o o o 1 2 o o o 