data_CdInHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   3.36
_cell_length_c   9.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdInHg2
_chemical_formula_sum   'Cd1 In1 Hg2'
_cell_volume   104.39
_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  0.96  1.0
  In  In3  1  0.68  0.68  0.64  1.0
  Hg  Hg1  1  0.68  0.68  0.19  1.0
  Hg  Hg2  1  0.0  0.0  0.29  1.0

data_CdInHg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   9.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdInHg2
_chemical_formula_sum   'Cd2 In2 Hg4'
_cell_volume   208.78
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.96  1.0
  In  In1  2  0.18  0.5  0.64  1.0
  Hg  Hg2  2  0.0  0.0  0.29  1.0
  Hg  Hg3  2  0.18  0.5  0.19  1.0

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