data_[Na8C8S8O24F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [10.2210]
_cell_length_b [11.0335]
_cell_length_c [11.3308]
_cell_angle_alpha [101.2455]
_cell_angle_beta [105.0538]
_cell_angle_gamma [110.7237]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaCS(OF)3]
_chemical_formula_sum '[Na8 C8 S8 O24 F24]'
_cell_volume [1094.3371]
_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
[
  Na  Na0  1  0.0007  0.4996  0.5010  1
  Na  Na1  1  0.2552  0.0055  0.3212  1
  Na  Na2  1  0.2680  0.8382  0.5381  1
  Na  Na3  1  0.3455  0.3674  0.5287  1
  Na  Na4  1  0.6526  0.6276  0.4735  1
  Na  Na5  1  0.7316  0.1675  0.4653  1
  Na  Na6  1  0.7456  0.9993  0.6868  1
  Na  Na7  1  0.9272  0.9619  0.4742  1
  C  C8  1  0.0550  0.8500  0.8527  1
  C  C9  1  0.1056  0.3668  0.8609  1
  C  C10  1  0.4828  0.2713  0.1579  1
  C  C11  1  0.4862  0.8170  0.1827  1
  C  C12  1  0.5138  0.1831  0.8169  1
  C  C13  1  0.5170  0.7286  0.8417  1
  C  C14  1  0.8940  0.6316  0.1380  1
  C  C15  1  0.9450  0.1512  0.1466  1
  S  S16  1  0.0234  0.2020  0.3272  1
  S  S17  1  0.0560  0.2871  0.6835  1
  S  S18  1  0.4444  0.6964  0.6632  1
  S  S19  1  0.4930  0.8172  0.3498  1
  S  S20  1  0.5088  0.1829  0.6501  1
  S  S21  1  0.5550  0.3035  0.3362  1
  S  S22  1  0.9461  0.7119  0.3157  1
  S  S23  1  0.9764  0.7990  0.6718  1
  O  O24  1  0.0351  0.8582  0.3390  1
  O  O25  1  0.0361  0.6469  0.3749  1
  O  O26  1  0.0730  0.3495  0.3735  1
  O  O27  1  0.0978  0.8799  0.6355  1
  O  O28  1  0.1475  0.1615  0.3537  1
  O  O29  1  0.1962  0.3188  0.6617  1
  O  O30  1  0.2811  0.6383  0.6215  1
  O  O31  1  0.3580  0.0799  0.5656  1
  O  O32  1  0.3757  0.8588  0.3647  1
  O  O33  1  0.4654  0.6787  0.3496  1
  O  O34  1  0.4916  0.1666  0.3485  1
  O  O35  1  0.4937  0.3945  0.3863  1
  O  O36  1  0.5044  0.6042  0.6129  1
  O  O37  1  0.5089  0.8330  0.6508  1
  O  O38  1  0.5371  0.3217  0.6507  1
  O  O39  1  0.6286  0.1430  0.6377  1
  O  O40  1  0.6464  0.9199  0.4330  1
  O  O41  1  0.7184  0.3630  0.3784  1
  O  O42  1  0.8078  0.6864  0.3412  1
  O  O43  1  0.8499  0.8377  0.6438  1
  O  O44  1  0.8983  0.1217  0.3608  1
  O  O45  1  0.9276  0.6516  0.6268  1
  O  O46  1  0.9637  0.3504  0.6239  1
  O  O47  1  0.9669  0.1404  0.6595  1
  F  F48  1  0.0204  0.6716  0.1090  1
  F  F49  1  0.0448  0.2280  0.1028  1
  F  F50  1  0.0852  0.9827  0.9053  1
  F  F51  1  0.1685  0.5041  0.8929  1
  F  F52  1  0.1829  0.8344  0.8924  1
  F  F53  1  0.2015  0.3277  0.9318  1
  F  F54  1  0.3313  0.2033  0.1120  1
  F  F55  1  0.3506  0.7254  0.0965  1
  F  F56  1  0.4077  0.2163  0.8442  1
  F  F57  1  0.4624  0.8070  0.9013  1
  F  F58  1  0.4786  0.6106  0.8697  1
  F  F59  1  0.4910  0.0576  0.8294  1
  F  F60  1  0.5089  0.9422  0.1703  1
  F  F61  1  0.5216  0.3895  0.1302  1
  F  F62  1  0.5376  0.1930  0.0985  1
  F  F63  1  0.5928  0.7839  0.1556  1
  F  F64  1  0.6497  0.2743  0.9036  1
  F  F65  1  0.6686  0.7968  0.8876  1
  F  F66  1  0.7984  0.6721  0.0686  1
  F  F67  1  0.8169  0.1663  0.1060  1
  F  F68  1  0.8308  0.4946  0.1058  1
  F  F69  1  0.9149  0.0181  0.0949  1
  F  F70  1  0.9551  0.7723  0.8960  1
  F  F71  1  0.9790  0.3270  0.8897  1
]