# generated using pymatgen
data_ScTi2(AsRu)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48577582
_cell_length_b   7.48577667
_cell_length_c   7.48577689
_cell_angle_alpha   127.70651037
_cell_angle_beta   120.70067737
_cell_angle_gamma   82.98264325
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTi2(AsRu)3
_chemical_formula_sum   'Sc2 Ti4 As6 Ru6'
_cell_volume   273.99196452
_cell_formula_units_Z   2
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  0.47177198  0.23755772  0.26578474  1.0
  Sc  Sc1  1  0.52822802  0.79401276  0.76578474  1.0
  Ti  Ti2  1  0.74770434  0.66828117  0.42057583  1.0
  Ti  Ti3  1  0.25229566  0.67287149  0.92057583  1.0
  Ti  Ti4  1  0.05717492  0.84948892  0.29231401  1.0
  Ti  Ti5  1  0.94282508  0.23513809  0.79231401  1.0
  As  As6  1  0.84609691  0.57985534  0.75340069  1.0
  As  As7  1  0.15390309  0.90730278  0.73375843  1.0
  As  As8  1  0.67354435  0.90730278  0.25340069  1.0
  As  As9  1  0.32645565  0.57985534  0.23375843  1.0
  As  As10  1  0.28310762  0.29517927  0.51207064  1.0
  As  As11  1  0.71689238  0.22896302  0.01207064  1.0
  Ru  Ru12  1  0.66546682  0.49402403  0.90979275  1.0
  Ru  Ru13  1  0.33453318  0.24432494  0.82855721  1.0
  Ru  Ru14  1  0.91576872  0.24432494  0.40979275  1.0
  Ru  Ru15  1  0.08423128  0.49402403  0.32855721  1.0
  Ru  Ru16  1  1.00000000  0.00394570  0.00394570  1.0
  Ru  Ru17  1  0.50000000  0.00394570  0.50394570  1.0