[CIF]
data_TiTeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.18373460
_cell_length_b   7.18373460
_cell_length_c   7.18373460
_cell_angle_alpha   154.01944690
_cell_angle_beta   154.01944690
_cell_angle_gamma   37.07133945
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTeSe
_chemical_formula_sum   'Ti1 Te1 Se1'
_cell_volume   71.04183832
_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
  Se  Se0  1  -0.00000000  0.00000000  0.68859988  1
  Te  Te1  1  -0.00000000  0.00000000  4.07783204  1
  Ti  Ti2  1  0.00000000  -0.00000000  8.85573833  1
[/CIF]
