# generated using pymatgen
data_Ti6AlSn5Ru12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.40235856
_cell_length_b   6.22945520
_cell_length_c   13.21125407
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99983189
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti6AlSn5Ru12
_chemical_formula_sum   'Ti6 Al1 Sn5 Ru12'
_cell_volume   362.30933453
_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  0.00000760  0.49999900  0.99498585  1.0
  Ti  Ti1  1  0.49993528  0.00000000  0.16391949  1.0
  Ti  Ti2  1  0.99992256  0.49999900  0.33334439  1.0
  Ti  Ti3  1  0.49999665  0.00000000  0.50273813  1.0
  Ti  Ti4  1  0.00008036  0.49999900  0.67167779  1.0
  Ti  Ti5  1  0.50007734  0.00000000  0.83333871  1.0
  Al  Al6  1  0.50009172  0.49999900  0.83334470  1.0
  Sn  Sn7  1  0.00001538  0.00000000  0.99780108  1.0
  Sn  Sn8  1  0.49992484  0.49999900  0.16470188  1.0
  Sn  Sn9  1  0.99990455  0.00000000  0.33333662  1.0
  Sn  Sn10  1  0.49998820  0.49999900  0.50196131  1.0
  Sn  Sn11  1  0.00007955  0.00000000  0.66886960  1.0
  Ru  Ru12  1  0.50001415  0.25409565  0.99586440  1.0
  Ru  Ru13  1  0.50001415  0.74590335  0.99586440  1.0
  Ru  Ru14  1  0.99992367  0.24932364  0.16599479  1.0
  Ru  Ru15  1  0.99992367  0.75067636  0.16599479  1.0
  Ru  Ru16  1  0.49991067  0.25029005  0.33333467  1.0
  Ru  Ru17  1  0.49991067  0.74971095  0.33333467  1.0
  Ru  Ru18  1  0.99998937  0.24933075  0.50068295  1.0
  Ru  Ru19  1  0.99998937  0.75066925  0.50068295  1.0
  Ru  Ru20  1  0.50007953  0.25406423  0.67077504  1.0
  Ru  Ru21  1  0.50007953  0.74593677  0.67077504  1.0
  Ru  Ru22  1  0.00007260  0.25915658  0.83333888  1.0
  Ru  Ru23  1  0.00007260  0.74084342  0.83333888  1.0