data_CdHgTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.84
_cell_length_b   10.84
_cell_length_c   10.84
_cell_angle_alpha   19.19
_cell_angle_beta   19.19
_cell_angle_gamma   19.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdHgTe2
_chemical_formula_sum   'Cd1 Hg1 Te2'
_cell_volume   120.22
_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  0.18  1.0
  Hg  Hg1  1  0.0  0.0  0.69  1.0
  Te  Te2  1  0.0  0.0  0.24  1.0
  Te  Te3  1  0.0  0.0  0.64  1.0

data_CdHgTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.26
_cell_length_b   3.61
_cell_length_c   10.84
_cell_angle_alpha   90.0
_cell_angle_beta   101.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdHgTe2
_chemical_formula_sum   'Cd2 Hg2 Te4'
_cell_volume   240.43
_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  0.82  1.0
  Hg  Hg1  2  0.0  0.0  0.31  1.0
  Te  Te2  2  0.0  0.0  0.36  1.0
  Te  Te3  2  0.0  0.0  0.76  1.0

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