# generated using pymatgen
data_Sc4FeNiRu6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.10102692
_cell_length_b   4.98549122
_cell_length_c   8.57182360
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.38766778
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4FeNiRu6
_chemical_formula_sum   'Sc4 Fe1 Ni1 Ru6'
_cell_volume   188.04405644
_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  0.32989807  0.66285818  0.43294146  1.0
  Sc  Sc1  1  0.66688265  0.33505381  0.56492032  1.0
  Sc  Sc2  1  0.66688265  0.33505381  0.93507968  1.0
  Sc  Sc3  1  0.32989807  0.66285818  0.06705854  1.0
  Fe  Fe4  1  0.16675168  0.32963245  0.75000000  1.0
  Ni  Ni5  1  0.33771976  0.17246444  0.25000000  1.0
  Ru  Ru6  1  0.17768275  0.82500184  0.75000000  1.0
  Ru  Ru7  1  0.83371133  0.66392365  0.25000000  1.0
  Ru  Ru8  1  0.65954103  0.82960308  0.75000000  1.0
  Ru  Ru9  1  0.00106556  0.00235114  0.00179498  1.0
  Ru  Ru10  1  0.82889789  0.17884829  0.25000000  1.0
  Ru  Ru11  1  0.00106556  0.00235114  0.49820502  1.0