# generated using pymatgen
data_TaS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33852097
_cell_length_b   3.33851946
_cell_length_c   12.55107349
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998400
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaS2
_chemical_formula_sum   'Ta2 S4'
_cell_volume   121.14893336
_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  -0.00000000  -0.00000000  0.24999273  1.0
  Ta  Ta1  1  0.00000000  0.00000000  0.75000727  1.0
  S  S2  1  0.33333300  0.66666700  0.12653278  1.0
  S  S3  1  0.66666700  0.33333300  0.62653976  1.0
  S  S4  1  0.66666700  0.33333300  0.87346722  1.0
  S  S5  1  0.33333300  0.66666700  0.37346024  1.0