# generated using pymatgen
data_Ti8Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.88632102
_cell_length_b   12.88632102
_cell_length_c   19.74119005
_cell_angle_alpha   58.09792282
_cell_angle_beta   58.09792282
_cell_angle_gamma   15.34379246
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti8Se3
_chemical_formula_sum   'Ti32 Se12'
_cell_volume   733.81901947
_cell_formula_units_Z   4
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  0.92552500  0.92552500  0.56711200  1.0
  Ti  Ti1  1  0.29810600  0.29810600  0.46425700  1.0
  Ti  Ti2  1  0.83152100  0.83152100  0.34095500  1.0
  Ti  Ti3  1  0.20961100  0.20961100  0.86997900  1.0
  Ti  Ti4  1  0.70189400  0.70189400  0.53574300  1.0
  Ti  Ti5  1  0.26170000  0.26170000  0.04358700  1.0
  Ti  Ti6  1  0.93470200  0.93470200  0.05433800  1.0
  Ti  Ti7  1  0.48980800  0.48980800  0.91679300  1.0
  Ti  Ti8  1  0.77554500  0.77554500  0.60394900  1.0
  Ti  Ti9  1  0.09539300  0.09539300  0.58670100  1.0
  Ti  Ti10  1  0.48797600  0.48797600  0.42520800  1.0
  Ti  Ti11  1  0.16847900  0.16847900  0.65904500  1.0
  Ti  Ti12  1  0.07447500  0.07447500  0.43288800  1.0
  Ti  Ti13  1  0.73830000  0.73830000  0.95641300  1.0
  Ti  Ti14  1  0.51202400  0.51202400  0.57479200  1.0
  Ti  Ti15  1  0.65070500  0.65070500  0.80375400  1.0
  Ti  Ti16  1  0.34929500  0.34929500  0.19624600  1.0
  Ti  Ti17  1  0.66636200  0.66636200  0.15319600  1.0
  Ti  Ti18  1  0.56203500  0.56203500  0.71290800  1.0
  Ti  Ti19  1  0.79038900  0.79038900  0.13002100  1.0
  Ti  Ti20  1  0.33363800  0.33363800  0.84680400  1.0
  Ti  Ti21  1  0.51019200  0.51019200  0.08320700  1.0
  Ti  Ti22  1  0.87228400  0.87228400  0.93320000  1.0
  Ti  Ti23  1  0.43796400  0.43796400  0.28709200  1.0
  Ti  Ti24  1  0.04601900  0.04601900  0.28267400  1.0
  Ti  Ti25  1  0.12771600  0.12771600  0.06680000  1.0
  Ti  Ti26  1  0.80253100  0.80253100  0.75433000  1.0
  Ti  Ti27  1  0.19746900  0.19746900  0.24567000  1.0
  Ti  Ti28  1  0.95398100  0.95398100  0.71732600  1.0
  Ti  Ti29  1  0.90460700  0.90460700  0.41329900  1.0
  Ti  Ti30  1  0.06529800  0.06529800  0.94566200  1.0
  Ti  Ti31  1  0.22445500  0.22445500  0.39605100  1.0
  Se  Se32  1  0.75798200  0.75798200  0.28075100  1.0
  Se  Se33  1  0.39251500  0.39251500  0.68392900  1.0
  Se  Se34  1  0.36746000  0.36746000  0.53058500  1.0
  Se  Se35  1  0.63043700  0.63043700  0.96439300  1.0
  Se  Se36  1  0.07020100  0.07020100  0.80863700  1.0
  Se  Se37  1  0.36956300  0.36956300  0.03560700  1.0
  Se  Se38  1  0.44536700  0.44536700  0.82400400  1.0
  Se  Se39  1  0.60748500  0.60748500  0.31607100  1.0
  Se  Se40  1  0.55463300  0.55463300  0.17599600  1.0
  Se  Se41  1  0.92979900  0.92979900  0.19136300  1.0
  Se  Se42  1  0.24201800  0.24201800  0.71924900  1.0
  Se  Se43  1  0.63254000  0.63254000  0.46941500  1.0