data_[In8Re16C80Br8O80]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Re  1.9000  1.3500  0.7125
  C  2.5500  0.7000  0.3000
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.7573]
_cell_length_b [13.2567]
_cell_length_c [26.6101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2064]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [InRe2C10BrO10]
_chemical_formula_sum '[In8 Re16 C80 Br8 O80]'
_cell_volume [3643.9730]
_cell_formula_units_Z [8]
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
[
  In  In0  4  0.2412  0.7064  0.7316  1
  In  In1  4  0.3205  0.7199  0.8905  1
  Re  Re2  4  0.0134  0.1408  0.8249  1
  Re  Re3  4  0.1110  0.6669  0.9324  1
  Re  Re4  4  0.4260  0.2098  0.0575  1
  Re  Re5  4  0.4400  0.7360  0.1844  1
  C  C6  4  0.0046  0.2051  0.6382  1
  C  C7  4  0.0166  0.0670  0.7593  1
  C  C8  4  0.0188  0.7249  0.6179  1
  C  C9  4  0.0279  0.1247  0.5381  1
  C  C10  4  0.0817  0.5244  0.6549  1
  C  C11  4  0.0881  0.2385  0.2978  1
  C  C12  4  0.1069  0.6886  0.4540  1
  C  C13  4  0.1364  0.5290  0.9058  1
  C  C14  4  0.1813  0.0963  0.8694  1
  C  C15  4  0.2489  0.6408  0.9989  1
  C  C16  4  0.2542  0.1600  0.0197  1
  C  C17  4  0.3217  0.6179  0.1606  1
  C  C18  4  0.3327  0.6819  0.6251  1
  C  C19  4  0.3683  0.2191  0.6137  1
  C  C20  4  0.4028  0.1610  0.5172  1
  C  C21  4  0.4415  0.1991  0.3564  1
  C  C22  4  0.4579  0.1429  0.7821  1
  C  C23  4  0.4671  0.1577  0.2520  1
  C  C24  4  0.4725  0.0883  0.1037  1
  C  C25  4  0.4849  0.6501  0.4920  1
  Br  Br26  4  0.2210  0.6524  0.3059  1
  Br  Br27  4  0.3384  0.5767  0.8159  1
  O  O28  4  0.0184  0.0263  0.7209  1
  O  O29  4  0.0389  0.7258  0.0848  1
  O  O30  4  0.0741  0.2295  0.6780  1
  O  O31  4  0.1096  0.1003  0.5197  1
  O  O32  4  0.1108  0.6036  0.4651  1
  O  O33  4  0.1311  0.1706  0.2808  1
  O  O34  4  0.1340  0.0433  0.1419  1
  O  O35  4  0.1481  0.0513  0.3908  1
  O  O36  4  0.1502  0.1332  0.9973  1
  O  O37  4  0.2523  0.5495  0.1477  1
  O  O38  4  0.2661  0.6375  0.5904  1
  O  O39  4  0.2809  0.0720  0.8972  1
  O  O40  4  0.3284  0.6271  0.0378  1
  O  O41  4  0.3353  0.1774  0.6462  1
  O  O42  4  0.3762  0.1784  0.3832  1
  O  O43  4  0.3939  0.0860  0.4938  1
  O  O44  4  0.3949  0.0756  0.7616  1
  O  O45  4  0.4094  0.1133  0.2152  1
  O  O46  4  0.4315  0.6165  0.5205  1
  O  O47  4  0.4961  0.0189  0.1309  1
]