# generated using pymatgen
data_Ta6RuS12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76303586
_cell_length_b   5.76303667
_cell_length_c   12.60224897
_cell_angle_alpha   85.64222432
_cell_angle_beta   85.64222074
_cell_angle_gamma   119.99985677
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta6RuS12
_chemical_formula_sum   'Ta6 Ru1 S12'
_cell_volume   358.26826022
_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  0.08000536  0.08000536  0.75904587  1.0
  Ta  Ta1  1  0.41206910  0.74538482  0.76268586  1.0
  Ta  Ta2  1  0.74538482  0.41206910  0.76268586  1.0
  Ta  Ta3  1  0.25461518  0.58793090  0.23731414  1.0
  Ta  Ta4  1  0.58793090  0.25461518  0.23731414  1.0
  Ta  Ta5  1  0.91999464  0.91999464  0.24095413  1.0
  Ru  Ru6  1  0.00000000  0.00000000  0.00000000  1.0
  S  S7  1  0.29497884  0.29497884  0.11333385  1.0
  S  S8  1  0.62987706  0.96248863  0.11334215  1.0
  S  S9  1  0.96248863  0.62987706  0.11334215  1.0
  S  S10  1  0.03751137  0.37012294  0.88665785  1.0
  S  S11  1  0.37012294  0.03751137  0.88665785  1.0
  S  S12  1  0.70502116  0.70502116  0.88666615  1.0
  S  S13  1  0.21487796  0.21487796  0.36352977  1.0
  S  S14  1  0.54361384  0.87929017  0.36351759  1.0
  S  S15  1  0.87929017  0.54361384  0.36351759  1.0
  S  S16  1  0.12070983  0.45638616  0.63648241  1.0
  S  S17  1  0.45638616  0.12070983  0.63648241  1.0
  S  S18  1  0.78512204  0.78512204  0.63647023  1.0