data_TiTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.98
_cell_length_b   6.98
_cell_length_c   6.98
_cell_angle_alpha   150.49
_cell_angle_beta   142.78
_cell_angle_gamma   48.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTe
_chemical_formula_sum   'Ti2 Te2'
_cell_volume   101.0
_cell_formula_units_Z   2
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  0.0  0.11  0.55  1.0
  Ti  Ti3  1  0.78  0.11  0.82  1.0
  Te  Te0  1  0.78  0.89  0.95  1.0
  Te  Te1  1  0.0  0.34  0.43  1.0

data_TiTe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.56
_cell_length_b   4.46
_cell_length_c   6.98
_cell_angle_alpha   108.61
_cell_angle_beta   104.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TiTe
_chemical_formula_sum   'Ti2 Te2'
_cell_volume   101.0
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.25  0.14  0.25  1.0
  Te  Te1  2  0.37  0.49  0.6  1.0

Ti Ti Te Te