data_CdTeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.99
_cell_length_b   11.99
_cell_length_c   11.99
_cell_angle_alpha   17.3
_cell_angle_beta   17.3
_cell_angle_gamma   17.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTeCl2
_chemical_formula_sum   'Cd1 Te1 Cl2'
_cell_volume   133.14
_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
  Te  Te3  1  0.0  0.0  0.72  1.0
  Cl  Cl1  1  0.0  0.0  0.21  1.0
  Cl  Cl2  1  0.0  0.0  0.22  1.0

data_CdTeCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.25
_cell_length_b   3.61
_cell_length_c   11.99
_cell_angle_alpha   90.0
_cell_angle_beta   100.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdTeCl2
_chemical_formula_sum   'Cd2 Te2 Cl4'
_cell_volume   266.27
_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  0.0  1.0
  Te  Te1  2  0.0  0.0  0.28  1.0
  Cl  Cl2  2  0.0  0.0  0.78  1.0
  Cl  Cl3  2  0.0  0.0  0.79  1.0

Cd Te Cl Cl