data_[Sc4Ti2Si6Ru6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ti  1.5400  1.4000  0.8517
  Si  1.9000  1.1000  0.5400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.4055]
_cell_length_b [11.7302]
_cell_length_c [6.8090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Sc2Ti(SiRu)3]
_chemical_formula_sum '[Sc4 Ti2 Si6 Ru6]'
_cell_volume [271.9985]
_cell_formula_units_Z [2]
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  4  0.0000  0.2028  0.7951  1
  Ti  Ti1  2  0.0000  0.0000  0.4084  1
  Si  Si2  4  0.5000  0.1620  0.4961  1
  Si  Si3  2  0.0000  0.0000  0.0047  1
  Ru  Ru4  4  0.5000  0.1244  0.1291  1
  Ru  Ru5  2  0.5000  0.0000  0.7465  1
]