data_CdGa2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   4.41
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGa2Hg
_chemical_formula_sum   'Cd1 Ga2 Hg1'
_cell_volume   87.72
_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  0.94  1.0
  Ga  Ga1  1  0.53  0.2  0.12  1.0
  Ga  Ga2  1  0.0  0.0  0.48  1.0
  Hg  Hg3  1  0.53  0.2  0.22  1.0

data_CdGa2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.41
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGa2Hg
_chemical_formula_sum   'Cd1 Ga2 Hg1'
_cell_volume   87.72
_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  0.94  1.0
  Ga  Ga1  1  0.0  0.0  0.48  1.0
  Ga  Ga2  1  0.53  0.2  0.12  1.0
  Hg  Hg3  1  0.53  0.2  0.22  1.0

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