# generated using pymatgen
data_LiTaS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34861410
_cell_length_b   3.34861410
_cell_length_c   12.88805856
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00002839
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTaS2
_chemical_formula_sum   'Li2 Ta2 S4'
_cell_volume   125.15500172
_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  0.00000000  1
  Li  Li1  1  0.00000000  0.00000000  0.50000000  1
  Ta  Ta2  1  0.00000000  0.00000000  0.25000000  1
  Ta  Ta3  1  0.00000000  0.00000000  0.75000000  1
  S  S4  1  0.33333300  0.66666700  0.12787625  1
  S  S5  1  0.66666700  0.33333300  0.87212375  1
  S  S6  1  0.66666700  0.33333300  0.62787625  1
  S  S7  1  0.33333300  0.66666700  0.37212375  1
