data_[Yb6B6Ru12]
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 [C2]
_cell_length_a [9.0882]
_cell_length_b [5.3488]
_cell_length_c [7.4919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.8479]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [YbBRu2]
_chemical_formula_sum '[Yb6 B6 Ru12]'
_cell_volume [362.8871]
_cell_formula_units_Z [6]
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  4  0.2414  0.7647  0.3138  1
  Yb  Yb1  2  0.0000  0.5131  0.0000  1
  B  B2  4  0.2409  0.2298  0.1507  1
  B  B3  2  0.0000  0.4869  0.5000  1
  Ru  Ru4  4  0.0723  0.1908  0.3392  1
  Ru  Ru5  4  0.1056  0.8028  0.6333  1
  Ru  Ru6  4  0.1309  0.0054  0.9630  1
]