# generated using pymatgen
data_TaS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36249475
_cell_length_b   9.76308648
_cell_length_c   15.08115882
_cell_angle_alpha   108.51259983
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaS3
_chemical_formula_sum   'Ta6 S18'
_cell_volume   469.47025513
_cell_formula_units_Z   6
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  0.25000000  0.47754075  0.11634894  1.0
  Ta  Ta1  1  0.75000000  0.52245925  0.88365106  1.0
  Ta  Ta2  1  0.25000000  0.10989779  0.79669043  1.0
  Ta  Ta3  1  0.75000000  0.89010221  0.20330957  1.0
  Ta  Ta4  1  0.25000000  0.15580919  0.45861822  1.0
  Ta  Ta5  1  0.75000000  0.84419081  0.54138178  1.0
  S  S6  1  0.25000000  0.37548597  0.93578817  1.0
  S  S7  1  0.75000000  0.62451403  0.06421183  1.0
  S  S8  1  0.25000000  0.72285405  0.90376873  1.0
  S  S9  1  0.75000000  0.27714595  0.09623127  1.0
  S  S10  1  0.25000000  0.56501201  0.77130840  1.0
  S  S11  1  0.75000000  0.43498799  0.22869160  1.0
  S  S12  1  0.25000000  0.91050311  0.08864580  1.0
  S  S13  1  0.75000000  0.08949689  0.91135420  1.0
  S  S14  1  0.25000000  0.08635961  0.27888747  1.0
  S  S15  1  0.75000000  0.91364039  0.72111253  1.0
  S  S16  1  0.25000000  0.72723958  0.24473658  1.0
  S  S17  1  0.75000000  0.27276042  0.75526342  1.0
  S  S18  1  0.25000000  0.66960981  0.56865024  1.0
  S  S19  1  0.75000000  0.33039019  0.43134976  1.0
  S  S20  1  0.25000000  0.04140167  0.59236489  1.0
  S  S21  1  0.75000000  0.95859833  0.40763511  1.0
  S  S22  1  0.25000000  0.67906290  0.43396401  1.0
  S  S23  1  0.75000000  0.32093610  0.56603599  1.0