# generated using pymatgen
data_Ti2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44041957
_cell_length_b   11.73952271
_cell_length_c   14.50288962
_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   585.75552180
_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  0.50000000  0.35541498  0.52073226  1.0
  Ti  Ti1  1  0.00000000  0.88588642  0.42590592  1.0
  Ti  Ti2  1  0.50000000  0.91336707  0.57646616  1.0
  Ti  Ti3  1  0.50000000  0.97119531  0.10860072  1.0
  Ti  Ti4  1  0.50000000  0.61411358  0.92590592  1.0
  Ti  Ti5  1  0.50000000  0.64458502  0.47926774  1.0
  Ti  Ti6  1  -0.00000000  0.47119531  0.39139928  1.0
  Ti  Ti7  1  0.50000000  0.38588642  0.07409408  1.0
  Ti  Ti8  1  0.00000000  0.18660270  0.79470317  1.0
  Ti  Ti9  1  -0.00000000  0.09256654  0.26178576  1.0
  Ti  Ti10  1  0.00000000  0.81339730  0.20529683  1.0
  Ti  Ti11  1  0.50000000  0.08663293  0.42353384  1.0
  Ti  Ti12  1  -0.00000000  0.85541498  0.97926774  1.0
  Ti  Ti13  1  0.00000000  0.52880469  0.60860072  1.0
  Ti  Ti14  1  0.50000000  0.02880469  0.89139928  1.0
  Ti  Ti15  1  -0.00000000  0.41336707  0.92353384  1.0
  Ti  Ti16  1  0.50000000  0.59256654  0.23821424  1.0
  Ti  Ti17  1  -0.00000000  0.58663293  0.07646616  1.0
  Ti  Ti18  1  -0.00000000  0.11411358  0.57409408  1.0
  Ti  Ti19  1  -0.00000000  0.14458502  0.02073226  1.0
  Ti  Ti20  1  0.50000000  0.31339730  0.29470317  1.0
  Ti  Ti21  1  0.50000000  0.40743346  0.76178576  1.0
  Ti  Ti22  1  0.00000000  0.90743346  0.73821424  1.0
  Ti  Ti23  1  0.50000000  0.68660270  0.70529683  1.0
  Se  Se24  1  -0.00000000  0.31217565  0.65018391  1.0
  Se  Se25  1  0.50000000  0.18782435  0.15018391  1.0
  Se  Se26  1  0.00000000  0.56661906  0.79422518  1.0
  Se  Se27  1  0.50000000  0.93338094  0.29422518  1.0
  Se  Se28  1  0.50000000  0.74557508  0.08623631  1.0
  Se  Se29  1  0.00000000  0.68782435  0.34981609  1.0
  Se  Se30  1  -0.00000000  0.43338094  0.20577482  1.0
  Se  Se31  1  -0.00000000  0.24557508  0.41376369  1.0
  Se  Se32  1  0.50000000  0.06661906  0.70577482  1.0
  Se  Se33  1  0.50000000  0.81217565  0.84981609  1.0
  Se  Se34  1  0.00000000  0.75442492  0.58623631  1.0
  Se  Se35  1  0.50000000  0.25442492  0.91376369  1.0