data_Cd2AgHg
_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   19.03
_cell_angle_beta   19.03
_cell_angle_gamma   19.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2AgHg
_chemical_formula_sum   'Cd2 Ag1 Hg1'
_cell_volume   87.29
_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  0.5  1.0
  Cd  Cd2  1  0.0  0.0  0.34  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.0  0.0  0.42  1.0

data_Cd2AgHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.61
_cell_length_b   3.24
_cell_length_c   9.79
_cell_angle_alpha   90.0
_cell_angle_beta   101.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd2AgHg
_chemical_formula_sum   'Cd4 Ag2 Hg2'
_cell_volume   174.58
_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  0.5  1.0
  Cd  Cd1  2  0.0  0.0  0.66  1.0
  Ag  Ag2  2  0.0  0.0  0.0  1.0
  Hg  Hg3  2  0.0  0.0  0.58  1.0

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