data_TiCd2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21
_cell_length_b   6.21
_cell_length_c   6.21
_cell_angle_alpha   145.4
_cell_angle_beta   138.6
_cell_angle_gamma   55.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCd2Te
_chemical_formula_sum   'Ti1 Cd2 Te1'
_cell_volume   89.47
_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  0.0  0.2  0.82  1.0
  Cd  Cd1  1  0.85  0.0  0.69  1.0
  Te  Te2  1  0.0  0.0  0.51  1.0

data_TiCd2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   4.39
_cell_length_c   6.21
_cell_angle_alpha   110.7
_cell_angle_beta   107.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCd2Te
_chemical_formula_sum   'Ti1 Cd2 Te1'
_cell_volume   89.47
_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  0.0  0.69  0.85  1.0
  Cd  Cd2  1  0.8  0.62  0.62  1.0
  Te  Te3  1  0.0  0.51  0.51  1.0

Ti Cd Cd Te