data_CdHg2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   7.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdHg2Bi
_chemical_formula_sum   'Cd1 Hg2 Bi1'
_cell_volume   107.17
_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  Cd1  1  0.0  0.0  0.52  1.0
  Hg  Hg2  1  0.93  0.93  0.17  1.0
  Hg  Hg3  1  0.0  0.0  0.66  1.0
  Bi  Bi0  1  0.93  0.93  0.64  1.0

data_CdHg2Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   7.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdHg2Bi
_chemical_formula_sum   'Cd2 Hg4 Bi2'
_cell_volume   214.35
_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  0.52  1.0
  Hg  Hg1  2  0.0  0.0  0.66  1.0
  Hg  Hg2  2  0.43  0.5  0.17  1.0
  Bi  Bi3  2  0.43  0.5  0.64  1.0

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