# generated using pymatgen
data_TaS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64502353
_cell_length_b   6.64502353
_cell_length_c   6.64502225
_cell_angle_alpha   29.49792748
_cell_angle_beta   29.49792748
_cell_angle_gamma   29.49792296
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaS2
_chemical_formula_sum   'Ta1 S2'
_cell_volume   62.96767948
_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
  Ta  Ta0  1  -0.00000000  -0.00000000  0.00000000  1.0
  S  S1  1  0.25387666  0.25387666  0.25387666  1.0
  S  S2  1  0.74612334  0.74612334  0.74612334  1.0