data_CdHgTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   6.44
_cell_angle_alpha   144.56
_cell_angle_beta   133.09
_cell_angle_gamma   60.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdHgTe2
_chemical_formula_sum   'Cd1 Hg1 Te2'
_cell_volume   112.15
_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  0.58  1.0
  Te  Te2  1  0.96  0.0  0.43  1.0
  Te  Te3  1  0.0  0.56  0.15  1.0

data_CdHgTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   5.13
_cell_length_c   6.44
_cell_angle_alpha   113.45
_cell_angle_beta   107.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdHgTe2
_chemical_formula_sum   'Cd1 Hg1 Te2'
_cell_volume   112.15
_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  0.58  0.58  1.0
  Te  Te2  1  0.0  0.43  0.47  1.0
  Te  Te3  1  0.44  0.58  0.58  1.0

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