data_CdIn2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58
_cell_length_b   6.58
_cell_length_c   6.58
_cell_angle_alpha   142.34
_cell_angle_beta   138.93
_cell_angle_gamma   56.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdIn2Te
_chemical_formula_sum   'Cd1 In2 Te1'
_cell_volume   113.22
_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  0.0  1.0
  In  In1  1  0.0  0.31  0.71  1.0
  In  In2  1  0.12  0.0  0.07  1.0
  Te  Te3  1  0.0  0.0  0.78  1.0

data_CdIn2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.25
_cell_length_b   4.61
_cell_length_c   6.58
_cell_angle_alpha   110.54
_cell_angle_beta   108.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdIn2Te
_chemical_formula_sum   'Cd1 In2 Te1'
_cell_volume   113.22
_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  0.0  1.0
  In  In1  1  0.0  0.07  0.95  1.0
  In  In2  1  0.69  0.41  0.41  1.0
  Te  Te3  1  0.0  0.78  0.78  1.0

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