# generated using pymatgen
data_TiSiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46381881
_cell_length_b   7.05689049
_cell_length_c   7.34709796
_cell_angle_alpha   118.70164775
_cell_angle_beta   116.09563843
_cell_angle_gamma   90.00026020
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSiRu
_chemical_formula_sum   'Ti6 Si6 Ru6'
_cell_volume   254.32070002
_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
  Ti  Ti0  1  0.91224012  0.24602798  0.99205269  1.0
  Ti  Ti1  1  0.49286741  0.97372797  0.44743942  1.0
  Ti  Ti2  1  0.04540193  0.02625815  0.55254943  1.0
  Ti  Ti3  1  0.49120915  0.44529599  0.39062731  1.0
  Ti  Ti4  1  0.92018893  0.75396244  0.00795308  1.0
  Ti  Ti5  1  0.10057667  0.55468168  0.60936017  1.0
  Si  Si6  1  0.53850566  0.78123177  0.06247948  1.0
  Si  Si7  1  0.16245271  0.17471898  0.33508893  1.0
  Si  Si8  1  0.16248147  0.66037013  0.33510676  1.0
  Si  Si9  1  0.82742715  0.33964051  0.66493451  1.0
  Si  Si10  1  0.47600799  0.21876540  0.93749345  1.0
  Si  Si11  1  0.82739254  0.82528689  0.66493593  1.0
  Ru  Ru12  1  0.24562132  0.50002875  0.00000842  1.0
  Ru  Ru13  1  0.24561705  0.00002170  0.99999889  1.0
  Ru  Ru14  1  0.49717007  0.83845724  0.74721896  1.0
  Ru  Ru15  1  0.74993558  0.59122604  0.25277439  1.0
  Ru  Ru16  1  0.49716029  0.40876077  0.74720198  1.0
  Ru  Ru17  1  0.74994596  0.16153860  0.25277321  1.0