data_CdHgMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.22
_cell_length_b   7.22
_cell_length_c   7.22
_cell_angle_alpha   156.98
_cell_angle_beta   156.98
_cell_angle_gamma   32.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdHgMo
_chemical_formula_sum   'Cd1 Hg1 Mo1'
_cell_volume   57.51
_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  0.1  1.0
  Hg  Hg1  1  0.0  0.0  0.52  1.0
  Mo  Mo2  1  0.0  0.0  0.23  1.0

data_CdHgMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   106.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdHgMo
_chemical_formula_sum   'Cd2 Hg2 Mo2'
_cell_volume   115.02
_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  0.9  1.0
  Hg  Hg1  2  0.0  0.0  0.48  1.0
  Mo  Mo2  2  0.0  0.0  0.77  1.0

Cd Hg Mo
Cd Hg Mo 0 2 o o o 1 2 o o o 