data_Cd2TeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   6.98
_cell_angle_alpha   107.6
_cell_angle_beta   107.6
_cell_angle_gamma   55.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2TeCl
_chemical_formula_sum   'Cd2 Te1 Cl1'
_cell_volume   107.54
_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  0.28  0.0  0.69  1.0
  Cd  Cd1  1  0.22  0.0  0.86  1.0
  Te  Te3  1  0.75  0.0  0.28  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_Cd2TeCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   4.46
_cell_length_c   6.98
_cell_angle_alpha   107.6
_cell_angle_beta   90.0
_cell_angle_gamma   117.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2TeCl
_chemical_formula_sum   'Cd2 Te1 Cl1'
_cell_volume   107.54
_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  0.72  0.31  1.0
  Cd  Cd1  1  0.0  0.78  0.14  1.0
  Te  Te2  1  0.0  0.25  0.72  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Cd Cd Te Cl