# generated using pymatgen
data_Li(TaS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35968427
_cell_length_b   3.35968427
_cell_length_c   12.89346300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000524
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li(TaS2)2
_chemical_formula_sum   'Li1 Ta2 S4'
_cell_volume   126.03672743
_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
  Ta  Ta1  1  0.00000000  0.00000000  0.24696900  1
  Ta  Ta2  1  0.00000000  0.00000000  0.75303100  1
  S  S3  1  0.33333300  0.66666700  0.37049400  1
  S  S4  1  0.66666700  0.33333300  0.62950600  1
  S  S5  1  0.66666700  0.33333300  0.87144600  1
  S  S6  1  0.33333300  0.66666700  0.12855400  1
