# generated using pymatgen
data_Ti3Be8Ru9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21275352
_cell_length_b   6.21263705
_cell_length_c   5.91268512
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00140275
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Be8Ru9
_chemical_formula_sum   'Ti3 Be8 Ru9'
_cell_volume   228.21535265
_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
  Ti  Ti0  1  0.00000000  0.50000000  0.00640376  1.0
  Ti  Ti1  1  0.50000000  0.00000000  0.50673959  1.0
  Ti  Ti2  1  0.00000000  0.50000000  0.50642347  1.0
  Be  Be3  1  0.13548452  0.11128094  0.00629477  1.0
  Be  Be4  1  0.86451548  0.88871906  0.00629477  1.0
  Be  Be5  1  0.12156925  0.11753968  0.50561768  1.0
  Be  Be6  1  0.87843175  0.88246132  0.50561768  1.0
  Be  Be7  1  0.61745715  0.37849695  0.50608387  1.0
  Be  Be8  1  0.38254385  0.62150405  0.50608387  1.0
  Be  Be9  1  0.61132099  0.36443524  0.00584857  1.0
  Be  Be10  1  0.38867901  0.63556476  0.00584857  1.0
  Ru  Ru11  1  0.50000000  0.00000000  0.00626139  1.0
  Ru  Ru12  1  0.83599473  0.17877775  0.25566150  1.0
  Ru  Ru13  1  0.16400627  0.82122325  0.25566150  1.0
  Ru  Ru14  1  0.32150201  0.33602760  0.25574081  1.0
  Ru  Ru15  1  0.67849899  0.66397340  0.25574081  1.0
  Ru  Ru16  1  0.32122388  0.33605420  0.75697897  1.0
  Ru  Ru17  1  0.67877512  0.66394480  0.75697897  1.0
  Ru  Ru18  1  0.83612725  0.17848474  0.75685822  1.0
  Ru  Ru19  1  0.16387275  0.82151526  0.75685822  1.0