data_Cd2HgTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   133.87
_cell_angle_beta   115.03
_cell_angle_gamma   83.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2HgTe
_chemical_formula_sum   'Cd2 Hg1 Te1'
_cell_volume   111.2
_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  0.01  0.05  1.0
  Cd  Cd1  1  0.2  0.0  0.14  1.0
  Hg  Hg2  1  0.0  0.0  0.19  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

data_Cd2HgTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.4
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   64.97
_cell_angle_beta   66.93
_cell_angle_gamma   66.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2HgTe
_chemical_formula_sum   'Cd2 Hg1 Te1'
_cell_volume   111.2
_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  0.8  0.14  1.0
  Cd  Cd1  1  0.01  -0.0  0.04  1.0
  Hg  Hg2  1  0.0  -0.0  0.19  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

Cd Cd Hg Te