data_CdTeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTeCl2
_chemical_formula_sum   'Cd1 Te1 Cl2'
_cell_volume   105.11
_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  0.31  0.0  0.0  1.0
  Cl  Cl1  1  0.31  0.3  0.31  1.0
  Cl  Cl2  1  0.31  0.7  0.31  1.0

data_CdTeCl2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.63
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CdTeCl2
_chemical_formula_sum   'Cd1 Te1 Cl2'
_cell_volume   105.19
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  Te1  1  -0.0  0.0  0.31  1.0
  Cl  Cl2  2  0.31  0.3  0.31  1.0

Cd Te Cl Cl
Cd Te Cl Cl 0 1 o o o 1 2 o o o 1 3 o - o 2 3 o o o 