# generated using pymatgen
data_Ta4TiSe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.93603215
_cell_length_b   6.93563654
_cell_length_c   13.10582366
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00147896
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta4TiSe8
_chemical_formula_sum   'Ta8 Ti2 Se16'
_cell_volume   545.99152720
_cell_formula_units_Z   2
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
  Ta  Ta0  1  0.99969113  0.99926621  0.25000000  1.0
  Ta  Ta1  1  0.00030887  0.00073379  0.75000000  1.0
  Ta  Ta2  1  0.50774187  0.01551701  0.25000000  1.0
  Ta  Ta3  1  0.49225813  0.98448299  0.75000000  1.0
  Ta  Ta4  1  0.98505577  0.49250186  0.25000000  1.0
  Ta  Ta5  1  0.01494423  0.50749814  0.75000000  1.0
  Ta  Ta6  1  0.50739007  0.49245521  0.25000000  1.0
  Ta  Ta7  1  0.49260993  0.50754479  0.75000000  1.0
  Ti  Ti8  1  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti9  1  0.00000000  0.00000000  0.50000000  1.0
  Se  Se10  1  0.33325834  0.66651623  0.61906580  1.0
  Se  Se11  1  0.66674166  0.33348377  0.38093420  1.0
  Se  Se12  1  0.66674166  0.33348377  0.11906580  1.0
  Se  Se13  1  0.33325834  0.66651623  0.88093420  1.0
  Se  Se14  1  0.16778341  0.33562992  0.12408052  1.0
  Se  Se15  1  0.83221659  0.66437008  0.87591948  1.0
  Se  Se16  1  0.66270181  0.83165043  0.12388095  1.0
  Se  Se17  1  0.83221659  0.66437008  0.62408052  1.0
  Se  Se18  1  0.33729819  0.16834957  0.87611905  1.0
  Se  Se19  1  0.16778341  0.33562992  0.37591948  1.0
  Se  Se20  1  0.16902339  0.83158896  0.12384065  1.0
  Se  Se21  1  0.33729819  0.16834957  0.62388095  1.0
  Se  Se22  1  0.83097661  0.16841104  0.87615935  1.0
  Se  Se23  1  0.66270181  0.83165043  0.37611905  1.0
  Se  Se24  1  0.83097661  0.16841104  0.62384065  1.0
  Se  Se25  1  0.16902339  0.83158896  0.37615935  1.0