# generated using pymatgen
data_ScGe2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.17721600
_cell_length_b   9.37219400
_cell_length_c   10.43154100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGe2Ru
_chemical_formula_sum   'Sc12 Ge24 Ru12'
_cell_volume   799.45718271
_cell_formula_units_Z   12
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  0.24088200  0.82426700  0.45009200  1.0
  Sc  Sc1  1  0.24088200  0.17573300  0.54990800  1.0
  Sc  Sc2  1  0.75911800  0.32426700  0.04990800  1.0
  Sc  Sc3  1  0.75911800  0.67573300  0.95009200  1.0
  Sc  Sc4  1  0.75911800  0.17573300  0.54990800  1.0
  Sc  Sc5  1  0.75911800  0.82426700  0.45009200  1.0
  Sc  Sc6  1  0.24088200  0.67573300  0.95009200  1.0
  Sc  Sc7  1  0.24088200  0.32426700  0.04990800  1.0
  Sc  Sc8  1  0.00000000  0.83549400  0.17836000  1.0
  Sc  Sc9  1  0.00000000  0.16450600  0.82164000  1.0
  Sc  Sc10  1  0.00000000  0.33549400  0.32164000  1.0
  Sc  Sc11  1  0.00000000  0.66450600  0.67836000  1.0
  Ge  Ge12  1  0.34492000  0.83920100  0.18023600  1.0
  Ge  Ge13  1  0.34492000  0.16079900  0.81976400  1.0
  Ge  Ge14  1  0.65508000  0.33920100  0.31976400  1.0
  Ge  Ge15  1  0.65508000  0.66079900  0.68023600  1.0
  Ge  Ge16  1  0.65508000  0.16079900  0.81976400  1.0
  Ge  Ge17  1  0.65508000  0.83920100  0.18023600  1.0
  Ge  Ge18  1  0.34492000  0.66079900  0.68023600  1.0
  Ge  Ge19  1  0.34492000  0.33920100  0.31976400  1.0
  Ge  Ge20  1  0.50000000  0.53732000  0.11714100  1.0
  Ge  Ge21  1  0.50000000  0.46268000  0.88285900  1.0
  Ge  Ge22  1  0.50000000  0.03732000  0.38285900  1.0
  Ge  Ge23  1  0.50000000  0.96268000  0.61714100  1.0
  Ge  Ge24  1  0.00000000  0.53674600  0.11750300  1.0
  Ge  Ge25  1  0.00000000  0.46325400  0.88249700  1.0
  Ge  Ge26  1  0.00000000  0.03674600  0.38249700  1.0
  Ge  Ge27  1  0.00000000  0.96325400  0.61750300  1.0
  Ge  Ge28  1  0.50000000  0.63026500  0.40446800  1.0
  Ge  Ge29  1  0.50000000  0.36973500  0.59553200  1.0
  Ge  Ge30  1  0.50000000  0.13026500  0.09553200  1.0
  Ge  Ge31  1  0.50000000  0.86973500  0.90446800  1.0
  Ge  Ge32  1  0.00000000  0.63273600  0.39833400  1.0
  Ge  Ge33  1  0.00000000  0.36726400  0.60166600  1.0
  Ge  Ge34  1  0.00000000  0.13273600  0.10166600  1.0
  Ge  Ge35  1  0.00000000  0.86726400  0.89833400  1.0
  Ru  Ru36  1  0.24915400  0.58885900  0.23818300  1.0
  Ru  Ru37  1  0.24915400  0.41114100  0.76181700  1.0
  Ru  Ru38  1  0.75084600  0.08885900  0.26181700  1.0
  Ru  Ru39  1  0.75084600  0.91114100  0.73818300  1.0
  Ru  Ru40  1  0.75084600  0.41114100  0.76181700  1.0
  Ru  Ru41  1  0.75084600  0.58885900  0.23818300  1.0
  Ru  Ru42  1  0.24915400  0.91114100  0.73818300  1.0
  Ru  Ru43  1  0.24915400  0.08885900  0.26181700  1.0
  Ru  Ru44  1  0.24632800  0.50000000  0.50000000  1.0
  Ru  Ru45  1  0.75367200  0.00000000  0.00000000  1.0
  Ru  Ru46  1  0.75367200  0.50000000  0.50000000  1.0
  Ru  Ru47  1  0.24632800  0.00000000  0.00000000  1.0