data_CdHgGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   3.08
_cell_length_c   11.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   121.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdHgGe2
_chemical_formula_sum   'Cd1 Hg1 Ge2'
_cell_volume   89.41
_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  0.0  1.0
  Hg  Hg3  1  0.0  0.0  0.52  1.0
  Ge  Ge1  1  0.5  0.0  0.59  1.0
  Ge  Ge2  1  0.5  0.0  0.46  1.0

data_CdHgGe2
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   3.08
_cell_length_b   5.25
_cell_length_c   11.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   CdHgGe2
_chemical_formula_sum   'Cd2 Hg2 Ge4'
_cell_volume   178.9
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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  0.0  1.0
  Hg  Hg1  2  0.0  0.0  0.48  1.0
  Ge  Ge2  2  0.0  0.5  0.41  1.0
  Ge  Ge3  2  0.0  0.5  0.54  1.0

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