# generated using pymatgen
data_Ti6GaSi5Ru12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23162769
_cell_length_b   5.98421839
_cell_length_c   12.69643210
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00008722
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti6GaSi5Ru12
_chemical_formula_sum   'Ti6 Ga1 Si5 Ru12'
_cell_volume   321.51154978
_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  0.99997941  0.00000000  0.99941072  1.0
  Ti  Ti1  1  0.49988568  0.50000100  0.16724238  1.0
  Ti  Ti2  1  0.99991195  0.00000000  0.33332877  1.0
  Ti  Ti3  1  0.50001512  0.50000100  0.49942374  1.0
  Ti  Ti4  1  0.00010233  0.00000000  0.66725850  1.0
  Ti  Ti5  1  0.50011757  0.50000100  0.83332943  1.0
  Ga  Ga6  1  0.50013123  0.00000000  0.83335097  1.0
  Si  Si7  1  0.99997491  0.50000100  0.00020399  1.0
  Si  Si8  1  0.49986027  0.00000000  0.16682250  1.0
  Si  Si9  1  0.99992674  0.50000100  0.33332120  1.0
  Si  Si10  1  0.49999142  0.00000000  0.49986507  1.0
  Si  Si11  1  0.00008976  0.50000100  0.66644483  1.0
  Ru  Ru12  1  0.49997461  0.25265307  0.00331823  1.0
  Ru  Ru13  1  0.49997461  0.74734693  0.00331823  1.0
  Ru  Ru14  1  0.99990020  0.24975926  0.16771156  1.0
  Ru  Ru15  1  0.99990020  0.75024074  0.16771156  1.0
  Ru  Ru16  1  0.49992393  0.24929315  0.33333414  1.0
  Ru  Ru17  1  0.49992393  0.75070685  0.33333414  1.0
  Ru  Ru18  1  0.00000819  0.24975501  0.49894189  1.0
  Ru  Ru19  1  0.00000819  0.75024499  0.49894189  1.0
  Ru  Ru20  1  0.50008717  0.25264513  0.66335873  1.0
  Ru  Ru21  1  0.50008717  0.74735487  0.66335873  1.0
  Ru  Ru22  1  0.00010971  0.25483312  0.83333440  1.0
  Ru  Ru23  1  0.00010971  0.74516688  0.83333440  1.0