[CIF]
data_ScRu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.57084246
_cell_length_b   7.57084246
_cell_length_c   7.57084246
_cell_angle_alpha   109.47122063
_cell_angle_beta   109.47122063
_cell_angle_gamma   109.47122063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRu4
_chemical_formula_sum   'Sc4 Ru16'
_cell_volume   334.04943073
_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
  Ru  Ru0  1  0.91191676  0.91191676  0.91191676  1
  Ru  Ru1  1  3.45911117  3.45911117  -3.45911117  1
  Ru  Ru2  1  3.45911117  -3.45911117  3.45911117  1
  Ru  Ru3  1  -3.45911117  3.45911117  3.45911117  1
  Ru  Ru4  1  3.07360360  0.00000000  -0.00000000  1
  Ru  Ru5  1  5.66845226  0.00000000  -0.00000000  1
  Ru  Ru6  1  0.00000000  3.07360360  -0.00000000  1
  Ru  Ru7  1  0.00000000  5.66845226  -0.00000000  1
  Ru  Ru8  1  0.00000000  -0.00000000  3.07360360  1
  Ru  Ru9  1  0.00000000  -0.00000000  5.66845226  1
  Ru  Ru10  1  2.18551397  4.37102793  -0.00000000  1
  Ru  Ru11  1  2.18551397  -0.00000000  4.37102793  1
  Ru  Ru12  1  -0.00000000  2.18551397  4.37102793  1
  Ru  Ru13  1  4.37102793  2.18551397  -0.00000000  1
  Ru  Ru14  1  4.37102793  -0.00000000  2.18551397  1
  Ru  Ru15  1  -0.00000000  4.37102793  2.18551397  1
  Sc  Sc16  1  2.43676716  2.43676716  2.43676716  1
  Sc  Sc17  1  1.93426077  1.93426077  -1.93426077  1
  Sc  Sc18  1  1.93426077  -1.93426077  1.93426077  1
  Sc  Sc19  1  -1.93426077  1.93426077  1.93426077  1
[/CIF]
