# generated using pymatgen
data_TiSiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95415100
_cell_length_b   6.09911100
_cell_length_c   7.26835800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSiRu
_chemical_formula_sum   'Ti4 Si4 Ru4'
_cell_volume   175.28957881
_cell_formula_units_Z   4
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  0.75000000  0.98027200  0.18628700  1.0
  Ti  Ti1  1  0.25000000  0.01972800  0.81371300  1.0
  Ti  Ti2  1  0.75000000  0.48027200  0.31371300  1.0
  Ti  Ti3  1  0.25000000  0.51972800  0.68628700  1.0
  Si  Si4  1  0.75000000  0.22413600  0.62415900  1.0
  Si  Si5  1  0.25000000  0.77586400  0.37584100  1.0
  Si  Si6  1  0.75000000  0.72413600  0.87584100  1.0
  Si  Si7  1  0.25000000  0.27586400  0.12415900  1.0
  Ru  Ru8  1  0.75000000  0.83487300  0.55590900  1.0
  Ru  Ru9  1  0.25000000  0.16512700  0.44409100  1.0
  Ru  Ru10  1  0.75000000  0.33487300  0.94409100  1.0
  Ru  Ru11  1  0.25000000  0.66512700  0.05590900  1.0