data_[Y6Fe4Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Fe  1.8300  1.4000  0.8525
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2008]
_cell_length_b [5.2416]
_cell_length_c [13.1031]
_cell_angle_alpha [88.8112]
_cell_angle_beta [89.2514]
_cell_angle_gamma [62.0823]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Y3(FeRu2)2]
_chemical_formula_sum '[Y6 Fe4 Ru8]'
_cell_volume [315.5542]
_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
[
  Y  Y0  2  0.0027  0.9966  0.1256  1.0
  Y  Y1  2  0.3340  0.3321  0.7909  1.0
  Y  Y2  2  0.3341  0.3341  0.5414  1.0
  Fe  Fe3  2  0.1640  0.1683  0.3336  1.0
  Fe  Fe4  1  0.0000  0.5000  0.0000  1.0
  Fe  Fe5  1  0.5000  0.5000  0.0000  1.0
  Ru  Ru6  2  0.1652  0.6677  0.3333  1.0
  Ru  Ru7  2  0.3286  0.3356  0.1630  1.0
  Ru  Ru8  2  0.3377  0.8304  0.6693  1.0
  Ru  Ru9  1  0.0000  0.0000  0.5000  1.0
  Ru  Ru10  1  0.5000  0.0000  0.0000  1.0
]