# generated using pymatgen
data_Ti5TlSe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62834736
_cell_length_b   9.18258233
_cell_length_c   9.62227455
_cell_angle_alpha   103.69391363
_cell_angle_beta   100.86752655
_cell_angle_gamma   90.00000227
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti5TlSe8
_chemical_formula_sum   'Ti5 Tl1 Se8'
_cell_volume   305.55704732
_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
  Ti  Ti0  1  0.50000000  0.50000000  0.00000000  1.0
  Ti  Ti1  1  0.15110032  0.48921671  0.30220264  1.0
  Ti  Ti2  1  0.20909153  0.85191170  0.41818106  1.0
  Ti  Ti3  1  0.79090847  0.14808830  0.58181894  1.0
  Ti  Ti4  1  0.84889968  0.51078329  0.69779736  1.0
  Tl  Tl5  1  0.00000000  -0.00000000  0.00000000  1.0
  Se  Se6  1  0.92668106  0.32622739  0.85336011  1.0
  Se  Se7  1  0.33890840  0.00149422  0.67781681  1.0
  Se  Se8  1  0.66109160  -0.00149422  0.32218319  1.0
  Se  Se9  1  0.73919357  0.65812634  0.47838915  1.0
  Se  Se10  1  0.26080643  0.34187366  0.52161085  1.0
  Se  Se11  1  0.41404100  0.68276061  0.82808301  1.0
  Se  Se12  1  0.58595900  0.31723939  0.17191699  1.0
  Se  Se13  1  0.07331994  0.67377261  0.14663989  1.0