data_CdHgSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   5.01
_cell_length_c   6.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdHgSb2
_chemical_formula_sum   'Cd1 Hg1 Sb2'
_cell_volume   108.49
_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  0.0  1.0
  Hg  Hg1  1  0.0  0.0  0.37  1.0
  Sb  Sb2  1  0.61  0.5  0.24  1.0
  Sb  Sb3  1  0.61  0.5  0.5  1.0

data_CdHgSb2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.21
_cell_length_b   5.01
_cell_length_c   6.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CdHgSb2
_chemical_formula_sum   'Cd1 Hg1 Sb2'
_cell_volume   108.49
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  1.0
  Hg  Hg1  1  0.0  0.0  0.37  1.0
  Sb  Sb2  1  0.61  0.5  0.24  1.0
  Sb  Sb3  1  0.61  0.5  0.5  1.0

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