data_CdAg2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.79
_cell_length_b   9.79
_cell_length_c   9.79
_cell_angle_alpha   18.25
_cell_angle_beta   18.25
_cell_angle_gamma   18.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdAg2Hg
_chemical_formula_sum   'Cd1 Ag2 Hg1'
_cell_volume   80.43
_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  Cd2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.63  1.0
  Ag  Ag1  1  0.0  0.0  0.25  1.0
  Hg  Hg3  1  0.0  0.0  0.44  1.0

data_CdAg2Hg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.38
_cell_length_b   3.11
_cell_length_c   9.79
_cell_angle_alpha   90.0
_cell_angle_beta   100.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdAg2Hg
_chemical_formula_sum   'Cd2 Ag4 Hg2'
_cell_volume   160.85
_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  0.0  1.0
  Ag  Ag1  2  -0.0  0.0  0.75  1.0
  Ag  Ag2  2  0.0  0.0  0.37  1.0
  Hg  Hg3  2  -0.0  0.0  0.56  1.0

Cd Ag Ag Hg