data_[H2Os12C36S4O38]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  Os  2.2000  1.3000  0.6730
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [9.2567]
_cell_length_b [12.2865]
_cell_length_c [14.2010]
_cell_angle_alpha [90.2347]
_cell_angle_beta [103.2325]
_cell_angle_gamma [98.3253]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HOs6C18S2O19]
_chemical_formula_sum '[H2 Os12 C36 S4 O38]'
_cell_volume [1554.5082]
_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
[
  Os  Os0  2  0.0568  0.8254  0.3916  1
  Os  Os1  2  0.0613  0.9967  0.2325  1
  Os  Os2  2  0.1946  0.4554  0.8360  1
  Os  Os3  2  0.2391  0.1140  0.8169  1
  Os  Os4  2  0.3887  0.5352  0.7051  1
  Os  Os5  2  0.4105  0.3064  0.7548  1
  H  H6  2  0.4753  0.4201  0.9213  1
  C  C7  2  0.0129  0.1307  0.1807  1
  C  C8  2  0.0274  0.2122  0.5006  1
  C  C9  2  0.0343  0.5230  0.7643  1
  C  C10  2  0.0829  0.3956  0.9280  1
  C  C11  2  0.1090  0.9466  0.1173  1
  C  C12  2  0.1782  0.7104  0.4061  1
  C  C13  2  0.2194  0.4726  0.6019  1
  C  C14  2  0.2230  0.9207  0.4680  1
  C  C15  2  0.2545  0.1560  0.9478  1
  C  C16  2  0.2597  0.0669  0.2928  1
  C  C17  2  0.2738  0.5883  0.9098  1
  C  C18  2  0.3042  0.9800  0.8604  1
  C  C19  2  0.3253  0.6766  0.6937  1
  C  C20  2  0.3805  0.6501  0.2151  1
  C  C21  2  0.4155  0.2588  0.6300  1
  C  C22  2  0.4572  0.4281  0.1768  1
  C  C23  2  0.4622  0.1511  0.8095  1
  C  C24  2  0.4672  0.4438  0.3741  1
  S  S25  2  0.0972  0.0308  0.6583  1
  S  S26  2  0.1375  0.2755  0.7404  1
  O  O27  2  0.0132  0.3666  0.9838  1
  O  O28  2  0.0161  0.7835  0.8447  1
  O  O29  2  0.0607  0.4344  0.2813  1
  O  O30  2  0.0786  0.2290  0.4338  1
  O  O31  2  0.1181  0.4402  0.5391  1
  O  O32  2  0.1276  0.9147  0.0445  1
  O  O33  2  0.2503  0.6269  0.1934  1
  O  O34  2  0.2504  0.6398  0.4182  1
  O  O35  2  0.2540  0.1741  0.0282  1
  O  O36  2  0.2839  0.7615  0.6838  1
  O  O37  2  0.3230  0.6675  0.9582  1
  O  O38  2  0.3275  0.9744  0.5159  1
  O  O39  2  0.3541  0.9015  0.8884  1
  O  O40  2  0.3656  0.4101  0.1052  1
  O  O41  2  0.3774  0.1185  0.3229  1
  O  O42  2  0.3786  0.4253  0.4199  1
  O  O43  2  0.3836  0.3702  0.8922  1
  O  O44  2  0.4191  0.2290  0.5527  1
  O  O45  2  0.4284  0.8918  0.1766  1
]