# generated using pymatgen
data_Li(TiSe2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59777536
_cell_length_b   3.59777482
_cell_length_c   22.21873628
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000493
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li(TiSe2)3
_chemical_formula_sum   'Li1 Ti3 Se6'
_cell_volume   249.06803011
_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
  Li  Li0  1  0.00000000  -0.00000000  0.50000000  1
  Ti  Ti1  1  0.00000000  -0.00000000  -0.00000000  1
  Ti  Ti2  1  -0.00000000  -0.00000000  0.35257920  1
  Ti  Ti3  1  0.00000000  0.00000000  0.64742080  1
  Se  Se4  1  0.33333300  0.66666700  0.42404700  1
  Se  Se5  1  0.66666700  0.33333300  0.57595300  1
  Se  Se6  1  0.33333300  0.66666700  0.71334935  1
  Se  Se7  1  0.66666700  0.33333300  0.28665065  1
  Se  Se8  1  0.33333300  0.66666700  0.06792885  1
  Se  Se9  1  0.66666700  0.33333300  0.93207115  1
