# generated using pymatgen
data_TaS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33945497
_cell_length_b   3.33945497
_cell_length_c   23.48460100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00184375
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaS2
_chemical_formula_sum   'Ta2 S4'
_cell_volume   226.80724897
_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
  Ta  Ta0  1  0.91782451  0.08217549  0.25000000  1.0
  Ta  Ta1  1  0.08217549  0.91782451  0.75000000  1.0
  S  S2  1  0.74882062  0.25117938  0.68405052  1.0
  S  S3  1  0.74882062  0.25117938  0.81594948  1.0
  S  S4  1  0.25117938  0.74882062  0.31594948  1.0
  S  S5  1  0.25117938  0.74882062  0.18405052  1.0