data_Cd2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.01
_cell_length_b   12.01
_cell_length_c   12.01
_cell_angle_alpha   162.89
_cell_angle_beta   162.89
_cell_angle_gamma   24.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2Hg
_chemical_formula_sum   'Cd4 Hg2'
_cell_volume   149.88
_cell_formula_units_Z   2
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  0.79  0.0  0.1  1.0
  Cd  Cd1  1  0.79  0.0  0.64  1.0
  Cd  Cd2  1  0.0  0.0  0.97  1.0
  Cd  Cd3  1  0.0  0.0  0.51  1.0
  Hg  Hg4  1  0.0  0.0  0.0  1.0
  Hg  Hg5  1  0.0  0.79  0.87  1.0

data_Cd2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   3.57
_cell_length_c   12.01
_cell_angle_alpha   98.56
_cell_angle_beta   98.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2Hg
_chemical_formula_sum   'Cd4 Hg2'
_cell_volume   149.88
_cell_formula_units_Z   2
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  0.1  0.31  0.31  1.0
  Cd  Cd1  1  0.51  0.51  0.51  1.0
  Cd  Cd2  1  0.64  0.86  0.86  1.0
  Cd  Cd3  1  0.97  0.97  0.97  1.0
  Hg  Hg4  1  0.0  0.0  0.0  1.0
  Hg  Hg5  1  0.08  0.87  0.08  1.0

Cd Cd Cd Cd Hg Hg