data_CdHgSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   5.61
_cell_angle_alpha   106.75
_cell_angle_beta   106.75
_cell_angle_gamma   33.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdHgSb2
_chemical_formula_sum   'Cd1 Hg1 Sb2'
_cell_volume   106.18
_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  0.86  0.0  0.67  1.0
  Sb  Sb2  1  0.02  0.0  0.26  1.0
  Sb  Sb3  1  0.7  0.0  0.09  1.0

data_CdHgSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   5.61
_cell_length_c   5.96
_cell_angle_alpha   106.75
_cell_angle_beta   106.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdHgSb2
_chemical_formula_sum   'Cd1 Hg1 Sb2'
_cell_volume   106.18
_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  0.67  0.86  1.0
  Sb  Sb2  1  0.0  0.09  0.7  1.0
  Sb  Sb3  1  0.0  0.26  0.02  1.0

Cd Hg Sb Sb