# generated using pymatgen
data_Ti2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46145443
_cell_length_b   9.50450465
_cell_length_c   17.79833192
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Se
_chemical_formula_sum   'Ti24 Se12'
_cell_volume   585.55461427
_cell_formula_units_Z   12
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  0.75000000  0.88967872  0.98683154  1.0
  Ti  Ti1  1  0.75000000  0.38820047  0.03120304  1.0
  Ti  Ti2  1  0.75000000  0.41987154  0.64535233  1.0
  Ti  Ti3  1  0.25000000  0.53875594  0.15953599  1.0
  Ti  Ti4  1  0.75000000  0.61032128  0.48683154  1.0
  Ti  Ti5  1  0.25000000  0.96124406  0.65953599  1.0
  Ti  Ti6  1  0.75000000  0.08012846  0.14535233  1.0
  Ti  Ti7  1  0.25000000  0.88820047  0.46879696  1.0
  Ti  Ti8  1  0.25000000  0.58012846  0.35464767  1.0
  Ti  Ti9  1  0.25000000  0.25183438  0.27251679  1.0
  Ti  Ti10  1  0.75000000  0.75183438  0.22748321  1.0
  Ti  Ti11  1  0.75000000  0.15191802  0.89330001  1.0
  Ti  Ti12  1  0.25000000  0.65191802  0.60669999  1.0
  Ti  Ti13  1  0.75000000  0.74816562  0.72748321  1.0
  Ti  Ti14  1  0.25000000  0.61179953  0.96879696  1.0
  Ti  Ti15  1  0.25000000  0.24816562  0.77251679  1.0
  Ti  Ti16  1  0.25000000  0.84808198  0.10669999  1.0
  Ti  Ti17  1  0.25000000  0.91987154  0.85464767  1.0
  Ti  Ti18  1  0.75000000  0.34808198  0.39330001  1.0
  Ti  Ti19  1  0.25000000  0.11032128  0.01316846  1.0
  Ti  Ti20  1  0.75000000  0.46124506  0.84046401  1.0
  Ti  Ti21  1  0.25000000  0.38967872  0.51316846  1.0
  Ti  Ti22  1  0.75000000  0.11179953  0.53120304  1.0
  Ti  Ti23  1  0.75000000  0.03875494  0.34046401  1.0
  Se  Se24  1  0.25000000  0.27965501  0.12785049  1.0
  Se  Se25  1  0.75000000  0.03328931  0.76169525  1.0
  Se  Se26  1  0.75000000  0.46671069  0.26169525  1.0
  Se  Se27  1  0.25000000  0.53328931  0.73830475  1.0
  Se  Se28  1  0.75000000  0.72034499  0.87214951  1.0
  Se  Se29  1  0.25000000  0.96671069  0.23830475  1.0
  Se  Se30  1  0.25000000  0.22034499  0.62785049  1.0
  Se  Se31  1  0.75000000  0.77965501  0.37214951  1.0
  Se  Se32  1  0.75000000  0.65926405  0.07501377  1.0
  Se  Se33  1  0.25000000  0.34073595  0.92498623  1.0
  Se  Se34  1  0.25000000  0.15926405  0.42498623  1.0
  Se  Se35  1  0.75000000  0.84073595  0.57501377  1.0