data_[Os16C48S4O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P1]
_cell_length_a [8.5150]
_cell_length_b [15.2560]
_cell_length_c [16.6696]
_cell_angle_alpha [104.2430]
_cell_angle_beta [90.0385]
_cell_angle_gamma [106.1760]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Os4C12SO12]
_chemical_formula_sum '[Os16 C48 S4 O48]'
_cell_volume [2010.2155]
_cell_formula_units_Z [4]
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  1  0.0320  0.6850  0.7230  1
  Os  Os1  1  0.0726  0.2114  0.6547  1
  Os  Os2  1  0.0744  0.6977  0.8950  1
  Os  Os3  1  0.1388  0.2125  0.1574  1
  Os  Os4  1  0.2140  0.8622  0.8374  1
  Os  Os5  1  0.3455  0.3164  0.7760  1
  Os  Os6  1  0.3516  0.1384  0.6619  1
  Os  Os7  1  0.3771  0.3023  0.6038  1
  Os  Os8  1  0.6224  0.6968  0.3943  1
  Os  Os9  1  0.6469  0.8613  0.3373  1
  Os  Os10  1  0.6507  0.6834  0.2229  1
  Os  Os11  1  0.7858  0.1380  0.1632  1
  Os  Os12  1  0.8622  0.7877  0.8430  1
  Os  Os13  1  0.9266  0.7878  0.3427  1
  Os  Os14  1  0.9270  0.3023  0.1055  1
  Os  Os15  1  0.9682  0.3157  0.2776  1
  C  C16  1  0.0317  0.2553  0.5607  1
  C  C17  1  0.0647  0.5692  0.7336  1
  C  C18  1  0.0698  0.4194  0.0965  1
  C  C19  1  0.0733  0.7273  0.2810  1
  C  C20  1  0.0809  0.9091  0.3850  1
  C  C21  1  0.0909  0.7479  0.0120  1
  C  C22  1  0.1551  0.3810  0.3539  1
  C  C23  1  0.1772  0.0922  0.1154  1
  C  C24  1  0.1916  0.6924  0.6425  1
  C  C25  1  0.2205  0.9907  0.8861  1
  C  C26  1  0.2221  0.3802  0.8529  1
  C  C27  1  0.2229  0.2575  0.0638  1
  C  C28  1  0.2276  0.0104  0.6135  1
  C  C29  1  0.2601  0.6530  0.8997  1
  C  C30  1  0.3452  0.2728  0.2194  1
  C  C31  1  0.3467  0.2509  0.4869  1
  C  C32  1  0.3485  0.4191  0.5954  1
  C  C33  1  0.3560  0.8645  0.9271  1
  C  C34  1  0.3928  0.6498  0.3974  1
  C  C35  1  0.3944  0.8836  0.7694  1
  C  C36  1  0.4879  0.8835  0.2697  1
  C  C37  1  0.4918  0.1359  0.5723  1
  C  C38  1  0.4933  0.4318  0.7648  1
  C  C39  1  0.4973  0.6891  0.1418  1
  C  C40  1  0.4981  0.3093  0.8563  1
  C  C41  1  0.5030  0.5675  0.2326  1
  C  C42  1  0.5079  0.8652  0.4275  1
  C  C43  1  0.5085  0.1152  0.7297  1
  C  C44  1  0.6065  0.1144  0.2316  1
  C  C45  1  0.6078  0.3467  0.6001  1
  C  C46  1  0.6445  0.1357  0.0729  1
  C  C47  1  0.6516  0.5807  0.4028  1
  C  C48  1  0.6530  0.7473  0.5111  1
  C  C49  1  0.6557  0.7289  0.7810  1
  C  C50  1  0.7424  0.3474  0.1002  1
  C  C51  1  0.7661  0.9902  0.3849  1
  C  C52  1  0.7730  0.6183  0.1471  1
  C  C53  1  0.7780  0.7429  0.9364  1
  C  C54  1  0.7797  0.0095  0.1154  1
  C  C55  1  0.8111  0.3112  0.3591  1
  C  C56  1  0.8274  0.9083  0.8866  1
  C  C57  1  0.8441  0.6212  0.6466  1
  C  C58  1  0.9073  0.2512  0.9887  1
  C  C59  1  0.9154  0.0905  0.6140  1
  C  C60  1  0.9258  0.2701  0.7172  1
  C  C61  1  0.9293  0.5805  0.9021  1
  C  C62  1  0.9356  0.4314  0.2670  1
  C  C63  1  0.9655  0.7448  0.4375  1
  S  S64  1  0.0051  0.8398  0.7311  1
  S  S65  1  0.1642  0.1618  0.7681  1
  S  S66  1  0.8328  0.8377  0.2307  1
  S  S67  1  0.9961  0.1609  0.2691  1
  O  O68  1  0.0049  0.7221  0.4945  1
  O  O69  1  0.0872  0.4970  0.7330  1
  O  O70  1  0.0971  0.7812  0.0830  1
  O  O71  1  0.1419  0.4156  0.8986  1
  O  O72  1  0.1483  0.9335  0.5837  1
  O  O73  1  0.1575  0.4912  0.0919  1
  O  O74  1  0.1602  0.6891  0.2427  1
  O  O75  1  0.1710  0.9846  0.4082  1
  O  O76  1  0.1988  0.0184  0.0931  1
  O  O77  1  0.2197  0.0679  0.9161  1
  O  O78  1  0.2509  0.6210  0.3968  1
  O  O79  1  0.2701  0.4189  0.4000  1
  O  O80  1  0.2876  0.2814  0.0080  1
  O  O81  1  0.2941  0.7002  0.5969  1
  O  O82  1  0.3243  0.2165  0.4159  1
  O  O83  1  0.3289  0.4907  0.5924  1
  O  O84  1  0.3747  0.6257  0.9002  1
  O  O85  1  0.3905  0.8952  0.2278  1
  O  O86  1  0.4017  0.6957  0.0960  1
  O  O87  1  0.4099  0.4947  0.2315  1
  O  O88  1  0.4231  0.8768  0.4817  1
  O  O89  1  0.4510  0.8746  0.9816  1
  O  O90  1  0.4700  0.3100  0.2580  1
  O  O91  1  0.4975  0.1023  0.2736  1
  O  O92  1  0.5028  0.8938  0.7271  1
  O  O93  1  0.5308  0.6930  0.7421  1
  O  O94  1  0.5498  0.1245  0.0181  1
  O  O95  1  0.5765  0.1250  0.5179  1
  O  O96  1  0.5882  0.5037  0.7648  1
  O  O97  1  0.5924  0.3010  0.9020  1
  O  O98  1  0.6066  0.1034  0.7713  1
  O  O99  1  0.6287  0.3754  0.0995  1
  O  O100  1  0.6691  0.5087  0.4061  1
  O  O101  1  0.6756  0.7804  0.5822  1
  O  O102  1  0.7104  0.3057  0.4059  1
  O  O103  1  0.7136  0.7204  0.9930  1
  O  O104  1  0.7281  0.5853  0.6010  1
  O  O105  1  0.7499  0.3734  0.6008  1
  O  O106  1  0.7795  0.9321  0.0865  1
  O  O107  1  0.8102  0.9832  0.9098  1
  O  O108  1  0.8211  0.0163  0.5931  1
  O  O109  1  0.8378  0.3059  0.7572  1
  O  O110  1  0.8385  0.5088  0.9049  1
  O  O111  1  0.8416  0.0681  0.4135  1
  O  O112  1  0.8508  0.5806  0.1015  1
  O  O113  1  0.8967  0.2178  0.9177  1
  O  O114  1  0.9133  0.5037  0.2679  1
  O  O115  1  0.9896  0.2786  0.5049  1
]