data_Cd2HgCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62
_cell_length_b   3.62
_cell_length_c   8.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2HgCl
_chemical_formula_sum   'Cd2 Hg1 Cl1'
_cell_volume   107.25
_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  0.0  0.54  1.0
  Cd  Cd1  1  0.09  0.0  0.46  1.0
  Hg  Hg3  1  0.09  0.0  0.99  1.0
  Cl  Cl2  1  0.0  0.0  0.75  1.0

data_Cd2HgCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   3.62
_cell_length_c   8.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2HgCl
_chemical_formula_sum   'Cd2 Hg1 Cl1'
_cell_volume   107.25
_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  0.0  0.54  1.0
  Cd  Cd1  1  0.09  0.0  0.46  1.0
  Hg  Hg2  1  0.09  0.0  0.99  1.0
  Cl  Cl3  1  0.0  0.0  0.75  1.0

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