# generated using pymatgen
data_ScTi(AsRu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.54642330
_cell_length_b   7.54544525
_cell_length_c   7.54642359
_cell_angle_alpha   128.30008151
_cell_angle_beta   121.00301920
_cell_angle_gamma   82.25291302
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTi(AsRu)2
_chemical_formula_sum   'Sc3 Ti3 As6 Ru6'
_cell_volume   277.96682655
_cell_formula_units_Z   3
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
  Sc  Sc0  1  0.47091330  0.24011826  0.26920495  1.0
  Sc  Sc1  1  0.52626513  0.79527345  0.76900931  1.0
  Sc  Sc2  1  0.74642840  0.66419892  0.41776952  1.0
  Ti  Ti3  1  0.24879171  0.66994632  0.92115461  1.0
  Ti  Ti4  1  0.05396029  0.85207784  0.29811755  1.0
  Ti  Ti5  1  0.95172942  0.24289127  0.79116185  1.0
  As  As6  1  0.84300208  0.57867590  0.75657456  1.0
  As  As7  1  0.15826871  0.91155360  0.73888230  1.0
  As  As8  1  0.67267230  0.91155360  0.25328589  1.0
  As  As9  1  0.32210234  0.57867590  0.23567382  1.0
  As  As10  1  0.28491422  0.31120641  0.52629118  1.0
  As  As11  1  0.72543788  0.20758057  0.98214269  1.0
  Ru  Ru12  1  0.66403136  0.49332028  0.90969921  1.0
  Ru  Ru13  1  0.33965568  0.24465947  0.83223342  1.0
  Ru  Ru14  1  0.91242705  0.24465947  0.40500379  1.0
  Ru  Ru15  1  0.08362107  0.49332028  0.32929092  1.0
  Ru  Ru16  1  0.02528495  0.00034223  0.02984814  1.0
  Ru  Ru17  1  0.47049410  0.00034223  0.47505728  1.0