data_TiTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   4.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTe
_chemical_formula_sum   'Ti3 Te3'
_cell_volume   135.95
_cell_formula_units_Z   3
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  0.48  0.56  0.0  1.0
  Ti  Ti4  1  0.96  0.0  0.0  1.0
  Ti  Ti5  1  0.52  0.56  0.0  1.0
  Te  Te0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.0  0.42  0.24  1.0
  Te  Te2  1  0.96  0.71  0.24  1.0

data_TiTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.48
_cell_length_b   5.92
_cell_length_c   5.92
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTe
_chemical_formula_sum   'Ti3 Te3'
_cell_volume   135.95
_cell_formula_units_Z   3
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  0.96  0.0  1.0
  Ti  Ti1  1  0.0  0.48  0.56  1.0
  Ti  Ti2  1  0.0  0.52  0.56  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Te  Te4  1  0.24  0.0  0.42  1.0
  Te  Te5  1  0.24  0.96  0.71  1.0

Ti Ti Ti Te Te Te