data_[Na48Nb8Zn16Si24S12O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nb  1.6000  1.4500  0.8200
  Zn  1.6500  1.3500  0.8800
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [15.9681]
_cell_length_b [9.2318]
_cell_length_c [22.1819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0039]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Na12Nb2Zn4Si6(SO12)3]
_chemical_formula_sum '[Na48 Nb8 Zn16 Si24 S12 O144]'
_cell_volume [3269.9262]
_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
[
  Na  Na0  4  0.0033  0.0048  0.9937  1
  Na  Na1  4  0.0277  0.3063  0.0827  1
  Na  Na2  4  0.1448  0.1815  0.5786  1
  Na  Na3  4  0.1508  0.1370  0.9143  1
  Na  Na4  4  0.1679  0.4823  0.1623  1
  Na  Na5  4  0.1840  0.1770  0.2390  1
  Na  Na6  4  0.3273  0.3708  0.0863  1
  Na  Na7  4  0.3293  0.3176  0.7496  1
  Na  Na8  4  0.3403  0.0055  0.3240  1
  Na  Na9  4  0.3605  0.3324  0.4092  1
  Na  Na10  4  0.4875  0.2015  0.9088  1
  Na  Na11  4  0.4897  0.1363  0.2530  1
  Nb  Nb12  4  0.1673  0.4912  0.3175  1
  Nb  Nb13  4  0.3272  0.0038  0.9753  1
  Zn  Zn14  4  0.1660  0.4858  0.0073  1
  Zn  Zn15  4  0.3360  0.0173  0.1854  1
  Zn  Zn16  4  0.4908  0.4907  0.8494  1
  Zn  Zn17  4  0.4996  0.4799  0.6590  1
  Si  Si18  4  0.0188  0.3509  0.9204  1
  Si  Si19  4  0.1646  0.2075  0.4228  1
  Si  Si20  4  0.1835  0.1466  0.0878  1
  Si  Si21  4  0.3134  0.3565  0.9206  1
  Si  Si22  4  0.3536  0.3559  0.2494  1
  Si  Si23  4  0.4998  0.1982  0.7495  1
  S  S24  4  0.1474  0.1546  0.7503  1
  S  S25  4  0.3329  0.2880  0.5838  1
  S  S26  4  0.4794  0.1453  0.0831  1
  O  O27  4  0.0057  0.1794  0.9104  1
  O  O28  4  0.0277  0.2114  0.1894  1
  O  O29  4  0.0647  0.4170  0.5793  1
  O  O30  4  0.0682  0.4328  0.8622  1
  O  O31  4  0.0709  0.3738  0.9815  1
  O  O32  4  0.0856  0.4112  0.2583  1
  O  O33  4  0.0906  0.0935  0.4112  1
  O  O34  4  0.0936  0.0596  0.0835  1
  O  O35  4  0.0969  0.1289  0.6949  1
  O  O36  4  0.1088  0.0922  0.8049  1
  O  O37  4  0.1511  0.3051  0.4815  1
  O  O38  4  0.1537  0.3188  0.7547  1
  O  O39  4  0.1764  0.3231  0.0827  1
  O  O40  4  0.1825  0.3178  0.3630  1
  O  O41  4  0.2343  0.0970  0.7458  1
  O  O42  4  0.2411  0.0759  0.0271  1
  O  O43  4  0.2422  0.1095  0.1450  1
  O  O44  4  0.2493  0.3819  0.8615  1
  O  O45  4  0.2560  0.1141  0.4239  1
  O  O46  4  0.2560  0.3777  0.5806  1
  O  O47  4  0.2572  0.4375  0.2576  1
  O  O48  4  0.2755  0.4247  0.9809  1
  O  O49  4  0.3188  0.1718  0.9228  1
  O  O50  4  0.3277  0.1988  0.6390  1
  O  O51  4  0.3345  0.1810  0.2481  1
  O  O52  4  0.3400  0.1891  0.5288  1
  O  O53  4  0.3922  0.4322  0.1884  1
  O  O54  4  0.4078  0.4139  0.9138  1
  O  O55  4  0.4096  0.3798  0.5813  1
  O  O56  4  0.4103  0.3791  0.3090  1
  O  O57  4  0.4171  0.0930  0.7429  1
  O  O58  4  0.4254  0.0639  0.4237  1
  O  O59  4  0.4260  0.1028  0.0288  1
  O  O60  4  0.4416  0.0848  0.1386  1
  O  O61  4  0.4823  0.3059  0.0828  1
  O  O62  4  0.4855  0.2954  0.8093  1
]