data_TiCd2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   3.21
_cell_angle_alpha   98.26
_cell_angle_beta   98.26
_cell_angle_gamma   124.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCd2Te
_chemical_formula_sum   'Ti1 Cd2 Te1'
_cell_volume   90.09
_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  Ti3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.91  0.64  0.53  1.0
  Cd  Cd1  1  0.91  0.36  0.53  1.0
  Te  Te2  1  0.8  0.0  0.0  1.0

data_TiCd2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   5.53
_cell_length_c   5.97
_cell_angle_alpha   112.98
_cell_angle_beta   98.26
_cell_angle_gamma   105.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCd2Te
_chemical_formula_sum   'Ti1 Cd2 Te1'
_cell_volume   90.09
_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  0.0  0.0  1.0
  Cd  Cd1  1  0.17  0.64  0.55  1.0
  Cd  Cd2  1  0.89  0.36  0.27  1.0
  Te  Te3  1  0.0  0.0  0.8  1.0

Ti Cd Cd Te