# generated using pymatgen
data_Ta3TiS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75182856
_cell_length_b   5.75182833
_cell_length_c   12.56434374
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000136
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3TiS6
_chemical_formula_sum   'Ta6 Ti2 S12'
_cell_volume   359.98324147
_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  0.00000000  1.0
  Ta  Ta1  1  0.66666700  0.33333300  0.00194647  1.0
  Ta  Ta2  1  0.33333300  0.66666700  0.50194647  1.0
  Ta  Ta3  1  0.00000000  0.00000000  0.50000000  1.0
  Ta  Ta4  1  0.33333300  0.66666700  0.99805353  1.0
  Ta  Ta5  1  0.66666700  0.33333300  0.49805353  1.0
  Ti  Ti6  1  0.66666700  0.33333300  0.75000000  1.0
  Ti  Ti7  1  0.33333300  0.66666700  0.25000000  1.0
  S  S8  1  0.66680454  0.66796265  0.12555728  1.0
  S  S9  1  0.33319546  0.33203735  0.62555728  1.0
  S  S10  1  0.66796265  0.66680454  0.87444272  1.0
  S  S11  1  0.33319546  0.00115811  0.87444272  1.0
  S  S12  1  0.99884189  0.66680454  0.62555728  1.0
  S  S13  1  0.99884189  0.33203735  0.87444272  1.0
  S  S14  1  0.00115811  0.66796265  0.37444272  1.0
  S  S15  1  0.33203735  0.33319546  0.37444272  1.0
  S  S16  1  0.66680454  0.99884189  0.37444272  1.0
  S  S17  1  0.00115811  0.33319546  0.12555728  1.0
  S  S18  1  0.66796265  0.00115811  0.62555728  1.0
  S  S19  1  0.33203735  0.99884189  0.12555728  1.0