data_CdHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   3.24
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdHg
_chemical_formula_sum   'Cd2 Hg2'
_cell_volume   96.64
_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
  Cd  Cd0  1  0.02  0.0  0.73  1.0
  Cd  Cd1  1  0.34  0.0  0.83  1.0
  Hg  Hg2  1  0.02  0.62  0.97  1.0
  Hg  Hg3  1  0.34  0.62  0.59  1.0

data_CdHg
_symmetry_space_group_name_H-M   P2
_cell_length_a   5.36
_cell_length_b   3.24
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   CdHg
_chemical_formula_sum   'Cd2 Hg2'
_cell_volume   96.64
_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
  Cd  Cd0  2  0.16  0.0  0.55  1.0
  Hg  Hg1  2  0.16  0.62  0.31  1.0

Cd Cd Hg Hg
Cd Cd Hg Hg 0 2 o - o 0 1 o o o 1 3 o - o 