# generated using pymatgen
data_ScFe(SiRu2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.30594991
_cell_length_b   7.30594951
_cell_length_c   7.30594861
_cell_angle_alpha   33.60009309
_cell_angle_beta   33.60009755
_cell_angle_gamma   33.60010399
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScFe(SiRu2)2
_chemical_formula_sum   'Sc1 Fe1 Si2 Ru4'
_cell_volume   106.38264034
_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
  Sc  Sc0  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe1  1  0.50000000  0.50000000  0.50000000  1.0
  Si  Si2  1  0.25020540  0.25020540  0.25020540  1.0
  Si  Si3  1  0.74979460  0.74979460  0.74979460  1.0
  Ru  Ru4  1  0.62093828  0.62093828  0.62093828  1.0
  Ru  Ru5  1  0.12926955  0.12926955  0.12926955  1.0
  Ru  Ru6  1  0.87073045  0.87073045  0.87073045  1.0
  Ru  Ru7  1  0.37906172  0.37906172  0.37906172  1.0