data_[B2H12Ru6C12O38F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  H  2.2000  0.2500  0.0000
  Ru  2.2000  1.3000  0.6610
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.2107]
_cell_length_b [6.8156]
_cell_length_c [14.5097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [BH6Ru3C6O19F4]
_chemical_formula_sum '[B2 H12 Ru6 C12 O38 F8]'
_cell_volume [1108.6568]
_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
[
  B  B0  2  0.0000  0.8967  0.7875  1
  Ru  Ru1  4  0.1589  0.4905  0.4833  1
  H  H2  4  0.2364  0.0380  0.8956  1
  H  H3  4  0.2419  0.3298  0.7331  1
  H  H4  2  0.0000  0.0041  0.5394  1
  Ru  Ru5  2  0.0000  0.2854  0.2898  1
  H  H6  2  0.0000  0.3326  0.7199  1
  C  C7  4  0.2026  0.5829  0.2803  1
  C  C8  4  0.2045  0.0906  0.3948  1
  C  C9  2  0.0000  0.3711  0.6462  1
  C  C10  2  0.0000  0.8468  0.5221  1
  O  O11  4  0.1021  0.3880  0.6096  1
  O  O12  4  0.1022  0.7709  0.5124  1
  O  O13  4  0.1241  0.4776  0.2421  1
  O  O14  4  0.1256  0.0897  0.3321  1
  O  O15  4  0.1985  0.9927  0.1296  1
  O  O16  4  0.2098  0.4497  0.0365  1
  O  O17  4  0.2222  0.2159  0.4578  1
  O  O18  4  0.2253  0.6060  0.3651  1
  O  O19  2  0.0000  0.1668  0.1857  1
  O  O20  2  0.0000  0.4068  0.9390  1
  O  O21  2  0.0000  0.4241  0.4229  1
  F  F22  4  0.1036  0.9312  0.7331  1
  F  F23  2  0.0000  0.0261  0.8641  1
  F  F24  2  0.0000  0.6988  0.8179  1
]