data_Ti2CdTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   4.77
_cell_angle_alpha   110.28
_cell_angle_beta   110.28
_cell_angle_gamma   35.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CdTe
_chemical_formula_sum   'Ti2 Cd1 Te1'
_cell_volume   79.76
_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
  Ti  Ti2  1  0.95  0.0  0.12  1.0
  Ti  Ti3  1  0.51  0.0  0.28  1.0
  Cd  Cd0  1  0.36  0.0  0.36  1.0
  Te  Te1  1  0.37  0.0  0.89  1.0

data_Ti2CdTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.77
_cell_length_c   5.54
_cell_angle_alpha   110.28
_cell_angle_beta   107.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CdTe
_chemical_formula_sum   'Ti2 Cd1 Te1'
_cell_volume   79.76
_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
  Ti  Ti0  1  0.0  0.12  0.95  1.0
  Ti  Ti1  1  0.0  0.28  0.51  1.0
  Cd  Cd2  1  0.0  0.36  0.36  1.0
  Te  Te3  1  0.0  0.89  0.37  1.0

Ti Ti Cd Te