data_[Yb9B6Ru21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  B  2.0400  0.8500  0.4100
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.4866]
_cell_length_b [5.4866]
_cell_length_c [21.3581]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Yb3B2Ru7]
_chemical_formula_sum '[Yb9 B6 Ru21]'
_cell_volume [556.8005]
_cell_formula_units_Z [3]
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
[
  Yb  Yb0  6  0.0000  0.0000  0.3588  1.0
  Yb  Yb1  3  -0.0000  -0.0000  0.5000  1.0
  B  B2  6  0.0000  0.0000  0.1639  1.0
  Ru  Ru3  18  0.0066  0.5033  0.4310  1.0
  Ru  Ru4  3  0.0000  0.0000  0.0000  1.0
]