# generated using pymatgen
data_Ba(TiSe2)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.16662988
_cell_length_b   7.16662893
_cell_length_c   14.40910141
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999008
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(TiSe2)8
_chemical_formula_sum   'Ba1 Ti8 Se16'
_cell_volume   640.91061852
_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
  Ba  Ba0  1  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti1  1  0.50220626  0.49779374  0.71847976  1.0
  Ti  Ti2  1  0.49779374  0.50220626  0.28152024  1.0
  Ti  Ti3  1  0.50220626  0.00441153  0.71847976  1.0
  Ti  Ti4  1  0.49779374  0.99558847  0.28152024  1.0
  Ti  Ti5  1  0.99558847  0.49779374  0.71847976  1.0
  Ti  Ti6  1  0.00441153  0.50220626  0.28152024  1.0
  Ti  Ti7  1  0.00000000  0.00000000  0.71811111  1.0
  Ti  Ti8  1  0.00000000  0.00000000  0.28188889  1.0
  Se  Se9  1  0.83188047  0.66376294  0.17449751  1.0
  Se  Se10  1  0.83349752  0.66699505  0.61473468  1.0
  Se  Se11  1  0.83188047  0.16811953  0.17449751  1.0
  Se  Se12  1  0.83349752  0.16650248  0.61473468  1.0
  Se  Se13  1  0.33333300  0.66666700  0.17347171  1.0
  Se  Se14  1  0.33333300  0.66666700  0.61662058  1.0
  Se  Se15  1  0.33623706  0.16811953  0.17449751  1.0
  Se  Se16  1  0.33300495  0.16650248  0.61473468  1.0
  Se  Se17  1  0.66376294  0.83188047  0.82550249  1.0
  Se  Se18  1  0.66699505  0.83349752  0.38526532  1.0
  Se  Se19  1  0.66666700  0.33333300  0.82652829  1.0
  Se  Se20  1  0.66666700  0.33333300  0.38337942  1.0
  Se  Se21  1  0.16811953  0.83188047  0.82550249  1.0
  Se  Se22  1  0.16650248  0.83349752  0.38526532  1.0
  Se  Se23  1  0.16811953  0.33623706  0.82550249  1.0
  Se  Se24  1  0.16650248  0.33300495  0.38526532  1.0