# generated using pymatgen
data_Ti5Cr(SiRu2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.21037545
_cell_length_b   5.95224591
_cell_length_c   12.62715096
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00032733
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti5Cr(SiRu2)6
_chemical_formula_sum   'Ti5 Cr1 Si6 Ru12'
_cell_volume   316.45143015
_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  0.99998862  0.50000100  0.99857030  1.0
  Ti  Ti1  1  0.49988768  0.00000000  0.16557485  1.0
  Ti  Ti2  1  0.99990331  0.50000100  0.33333476  1.0
  Ti  Ti3  1  0.50001134  0.00000000  0.50109412  1.0
  Ti  Ti4  1  0.00011653  0.50000100  0.66809597  1.0
  Cr  Cr5  1  0.50009014  0.00000000  0.83333145  1.0
  Si  Si6  1  0.99997204  0.00000000  0.99897308  1.0
  Si  Si7  1  0.49988244  0.50000100  0.16600391  1.0
  Si  Si8  1  0.99990843  0.00000000  0.33333472  1.0
  Si  Si9  1  0.50000758  0.50000100  0.50066211  1.0
  Si  Si10  1  0.00012710  0.00000000  0.66769475  1.0
  Si  Si11  1  0.50009191  0.50000100  0.83333246  1.0
  Ru  Ru12  1  0.49999074  0.24852093  0.99820156  1.0
  Ru  Ru13  1  0.49999074  0.75147907  0.99820156  1.0
  Ru  Ru14  1  0.99990109  0.25029184  0.16602928  1.0
  Ru  Ru15  1  0.99990109  0.74970816  0.16602928  1.0
  Ru  Ru16  1  0.49991881  0.24973091  0.33333529  1.0
  Ru  Ru17  1  0.49991881  0.75026909  0.33333529  1.0
  Ru  Ru18  1  0.00000496  0.25029255  0.50063763  1.0
  Ru  Ru19  1  0.00000496  0.74970745  0.50063763  1.0
  Ru  Ru20  1  0.50009561  0.24852350  0.66846389  1.0
  Ru  Ru21  1  0.50009561  0.75147650  0.66846389  1.0
  Ru  Ru22  1  0.00009674  0.24608212  0.83333162  1.0
  Ru  Ru23  1  0.00009674  0.75391788  0.83333162  1.0