data_[Ni2Ru10C34O32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Ru  2.2000  1.3000  0.6610
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [9.3603]
_cell_length_b [10.1044]
_cell_length_c [16.2944]
_cell_angle_alpha [85.2059]
_cell_angle_beta [83.3167]
_cell_angle_gamma [63.3779]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NiRu5C17O16]
_chemical_formula_sum '[Ni2 Ru10 C34 O32]'
_cell_volume [1367.5231]
_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
[
  Ni  Ni0  2  0.2744  0.7815  0.3448  1
  Ru  Ru1  2  0.0058  0.0126  0.7298  1
  Ru  Ru2  2  0.0215  0.6992  0.3401  1
  Ru  Ru3  2  0.0503  0.7577  0.1584  1
  Ru  Ru4  2  0.3209  0.8276  0.1838  1
  Ru  Ru5  2  0.3218  0.5429  0.2402  1
  C  C6  2  0.0171  0.0790  0.3618  1
  C  C7  2  0.0326  0.8487  0.8038  1
  C  C8  2  0.0705  0.5808  0.1125  1
  C  C9  2  0.0747  0.4166  0.6926  1
  C  C10  2  0.1234  0.5847  0.4330  1
  C  C11  2  0.1333  0.8210  0.0592  1
  C  C12  2  0.1644  0.7666  0.2585  1
  C  C13  2  0.1665  0.1863  0.5905  1
  C  C14  2  0.1693  0.1242  0.8626  1
  C  C15  2  0.2322  0.9346  0.7100  1
  C  C16  2  0.2780  0.3770  0.2662  1
  C  C17  2  0.3129  0.0031  0.1270  1
  C  C18  2  0.3438  0.7799  0.4420  1
  C  C19  2  0.4337  0.8392  0.2757  1
  C  C20  2  0.4559  0.4503  0.1439  1
  C  C21  2  0.4854  0.2816  0.8817  1
  C  C22  2  0.4900  0.4766  0.3113  1
  O  O23  2  0.0200  0.1433  0.4170  1
  O  O24  2  0.0571  0.7448  0.8468  1
  O  O25  2  0.0784  0.4770  0.0827  1
  O  O26  2  0.1333  0.4893  0.7096  1
  O  O27  2  0.1631  0.8583  0.9924  1
  O  O28  2  0.1835  0.5101  0.4893  1
  O  O29  2  0.2549  0.2734  0.2806  1
  O  O30  2  0.2780  0.1251  0.5448  1
  O  O31  2  0.3023  0.0564  0.8769  1
  O  O32  2  0.3125  0.1075  0.0911  1
  O  O33  2  0.3636  0.3451  0.9201  1
  O  O34  2  0.3712  0.8812  0.7008  1
  O  O35  2  0.3909  0.7784  0.5046  1
  O  O36  2  0.4009  0.5717  0.6492  1
  O  O37  2  0.4616  0.1398  0.7038  1
  O  O38  2  0.4659  0.6109  0.9142  1
]