# generated using pymatgen
data_ScSiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.15907812
_cell_length_b   6.66004450
_cell_length_c   6.93508041
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSiRu
_chemical_formula_sum   'Sc4 Si4 Ru4'
_cell_volume   192.09926789
_cell_formula_units_Z   4
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  0.25000000  0.99244771  0.31285879  1.0
  Sc  Sc1  1  0.25000000  0.49244771  0.18714121  1.0
  Sc  Sc2  1  0.75000000  0.00755229  0.68714121  1.0
  Sc  Sc3  1  0.75000000  0.50755229  0.81285879  1.0
  Si  Si4  1  0.25000000  0.29665862  0.61117741  1.0
  Si  Si5  1  0.25000000  0.79665862  0.88882259  1.0
  Si  Si6  1  0.75000000  0.70334138  0.38882259  1.0
  Si  Si7  1  0.75000000  0.20334138  0.11117741  1.0
  Ru  Ru8  1  0.25000000  0.15688202  0.93837274  1.0
  Ru  Ru9  1  0.25000000  0.65688202  0.56162726  1.0
  Ru  Ru10  1  0.75000000  0.84311798  0.06162726  1.0
  Ru  Ru11  1  0.75000000  0.34311798  0.43837274  1.0