# generated using pymatgen
data_TaS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.61710810
_cell_length_b   12.61710810
_cell_length_c   12.61710745
_cell_angle_alpha   15.30280509
_cell_angle_beta   15.30280509
_cell_angle_gamma   15.30280268
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaS2
_chemical_formula_sum   'Ta2 S4'
_cell_volume   121.87912281
_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  0.91688896  0.91688896  0.91688896  1.0
  Ta  Ta1  1  0.08289286  0.08289286  0.08289286  1.0
  S  S2  1  0.62427113  0.62427113  0.62427113  1.0
  S  S3  1  0.45749389  0.45749389  0.45749389  1.0
  S  S4  1  0.20946348  0.20946348  0.20946348  1.0
  S  S5  1  0.37498868  0.37498868  0.37498868  1.0