# generated using pymatgen
data_Li2(TaSe2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04476144
_cell_length_b   6.04476198
_cell_length_c   13.60858541
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001887
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2(TaSe2)3
_chemical_formula_sum   'Li4 Ta6 Se12'
_cell_volume   430.62764139
_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
  Li  Li0  1  0.00000000  0.00000000  0.25000000  1.0
  Li  Li1  1  0.00000000  0.00000000  0.75000000  1.0
  Li  Li2  1  0.33333300  0.66666700  0.25000000  1.0
  Li  Li3  1  0.66666700  0.33333300  0.75000000  1.0
  Ta  Ta4  1  0.00000000  0.00000000  0.00000000  1.0
  Ta  Ta5  1  0.00000000  0.00000000  0.50000000  1.0
  Ta  Ta6  1  0.33333300  0.66666700  0.49996796  1.0
  Ta  Ta7  1  0.33333300  0.66666700  0.00003204  1.0
  Ta  Ta8  1  0.66666700  0.33333300  0.99996796  1.0
  Ta  Ta9  1  0.66666700  0.33333300  0.50003204  1.0
  Se  Se10  1  0.00195677  0.33526600  0.87852780  1.0
  Se  Se11  1  0.99804323  0.33331024  0.12147220  1.0
  Se  Se12  1  0.00195677  0.66668976  0.62147220  1.0
  Se  Se13  1  0.99804323  0.66473400  0.37852780  1.0
  Se  Se14  1  0.33331024  0.99804323  0.87852780  1.0
  Se  Se15  1  0.33331024  0.33526600  0.62147220  1.0
  Se  Se16  1  0.33526600  0.33331024  0.37852780  1.0
  Se  Se17  1  0.33526600  0.00195677  0.12147220  1.0
  Se  Se18  1  0.66473400  0.66668976  0.87852780  1.0
  Se  Se19  1  0.66668976  0.66473400  0.12147220  1.0
  Se  Se20  1  0.66473400  0.99804323  0.62147220  1.0
  Se  Se21  1  0.66668976  0.00195677  0.37852780  1.0