data_Cd2HgAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   143.6
_cell_angle_beta   131.74
_cell_angle_gamma   61.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2HgAu
_chemical_formula_sum   'Cd2 Hg1 Au1'
_cell_volume   86.32
_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  0.38  0.8  1.0
  Cd  Cd2  1  0.0  0.0  0.48  1.0
  Hg  Hg3  1  0.0  0.38  0.16  1.0
  Au  Au0  1  0.0  0.0  0.53  1.0

data_Cd2HgAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   4.76
_cell_length_c   5.82
_cell_angle_alpha   114.13
_cell_angle_beta   108.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2HgAu
_chemical_formula_sum   'Cd2 Hg1 Au1'
_cell_volume   86.32
_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  0.2  0.58  0.58  1.0
  Cd  Cd1  1  0.52  0.52  0.52  1.0
  Hg  Hg2  1  0.84  0.22  0.22  1.0
  Au  Au3  1  0.47  0.47  0.47  1.0

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