data_[Na12Mg6Nb6Si9S9O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  Nb  1.6000  1.4500  0.8200
  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 [P1]
_cell_length_a [8.9058]
_cell_length_b [8.9713]
_cell_length_c [22.6647]
_cell_angle_alpha [89.6853]
_cell_angle_beta [89.9743]
_cell_angle_gamma [60.2793]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na4Mg2Nb2Si3(SO8)3]
_chemical_formula_sum '[Na12 Mg6 Nb6 Si9 S9 O72]'
_cell_volume [1572.5938]
_cell_formula_units_Z [3]
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  0.0106  0.9912  0.9903  1
  Na  Na1  1  0.0115  0.0044  0.4999  1
  Na  Na2  1  0.0244  0.6569  0.5909  1
  Na  Na3  1  0.3209  0.6484  0.0787  1
  Na  Na4  1  0.3322  0.3187  0.6572  1
  Na  Na5  1  0.3486  0.3208  0.1547  1
  Na  Na6  1  0.3695  0.9814  0.2451  1
  Na  Na7  1  0.6442  0.9864  0.7466  1
  Na  Na8  1  0.6471  0.6712  0.3295  1
  Na  Na9  1  0.6790  0.6548  0.8213  1
  Na  Na10  1  0.6996  0.3261  0.9078  1
  Na  Na11  1  0.9861  0.3184  0.4229  1
  Mg  Mg12  1  0.0060  0.9909  0.8500  1
  Mg  Mg13  1  0.0136  0.9886  0.3523  1
  Mg  Mg14  1  0.3388  0.3101  0.5219  1
  Mg  Mg15  1  0.3399  0.3284  0.0189  1
  Mg  Mg16  1  0.6528  0.6656  0.1834  1
  Mg  Mg17  1  0.6804  0.6549  0.6871  1
  Nb  Nb18  1  0.0100  0.9908  0.1415  1
  Nb  Nb19  1  0.3290  0.3539  0.8093  1
  Nb  Nb20  1  0.3403  0.3301  0.3134  1
  Nb  Nb21  1  0.6514  0.6632  0.9808  1
  Nb  Nb22  1  0.6620  0.6797  0.4860  1
  Nb  Nb23  1  0.9816  0.0129  0.6481  1
  Si  Si24  1  0.2969  0.7065  0.2523  1
  Si  Si25  1  0.3145  0.6370  0.9207  1
  Si  Si26  1  0.3303  0.0358  0.4181  1
  Si  Si27  1  0.3832  0.9691  0.0874  1
  Si  Si28  1  0.6573  0.9707  0.5906  1
  Si  Si29  1  0.6639  0.3719  0.0866  1
  Si  Si30  1  0.7123  0.3016  0.7569  1
  Si  Si31  1  0.9625  0.3742  0.5842  1
  Si  Si32  1  0.9915  0.7174  0.7511  1
  S  S33  1  0.0441  0.6255  0.4175  1
  S  S34  1  0.0450  0.3349  0.9184  1
  S  S35  1  0.2881  0.0007  0.7515  1
  S  S36  1  0.3747  0.6670  0.5848  1
  S  S37  1  0.6241  0.0395  0.9176  1
  S  S38  1  0.6254  0.3321  0.4175  1
  S  S39  1  0.7155  0.9983  0.2522  1
  S  S40  1  0.9518  0.6652  0.0854  1
  S  S41  1  0.9956  0.2928  0.2510  1
  O  O42  1  0.0106  0.7997  0.4073  1
  O  O43  1  0.0117  0.1903  0.9134  1
  O  O44  1  0.0280  0.1757  0.1992  1
  O  O45  1  0.0353  0.7981  0.6895  1
  O  O46  1  0.1280  0.5230  0.0797  1
  O  O47  1  0.1296  0.3537  0.8637  1
  O  O48  1  0.1344  0.5075  0.3644  1
  O  O49  1  0.1428  0.3703  0.5746  1
  O  O50  1  0.1444  0.5506  0.4705  1
  O  O51  1  0.1465  0.3163  0.9708  1
  O  O52  1  0.1556  0.0256  0.4106  1
  O  O53  1  0.1653  0.8288  0.9119  1
  O  O54  1  0.1669  0.2965  0.2551  1
  O  O55  1  0.1707  0.5182  0.7576  1
  O  O56  1  0.1710  0.8003  0.1912  1
  O  O57  1  0.1794  0.0313  0.6971  1
  O  O58  1  0.1898  0.9645  0.0903  1
  O  O59  1  0.1971  0.8313  0.3048  1
  O  O60  1  0.2028  0.8272  0.5852  1
  O  O61  1  0.2062  0.9833  0.8045  1
  O  O62  1  0.3003  0.1685  0.4684  1
  O  O63  1  0.3085  0.1597  0.7562  1
  O  O64  1  0.3088  0.5123  0.2597  1
  O  O65  1  0.3107  0.5390  0.9787  1
  O  O66  1  0.3354  0.1596  0.0744  1
  O  O67  1  0.3501  0.5212  0.5733  1
  O  O68  1  0.3595  0.4987  0.8623  1
  O  O69  1  0.3595  0.1361  0.3561  1
  O  O70  1  0.4609  0.8531  0.7444  1
  O  O71  1  0.4630  0.6942  0.5292  1
  O  O72  1  0.4764  0.8269  0.0302  1
  O  O73  1  0.4782  0.6451  0.6367  1
  O  O74  1  0.4820  0.8860  0.1474  1
  O  O75  1  0.4865  0.6855  0.2470  1
  O  O76  1  0.4963  0.3545  0.0767  1
  O  O77  1  0.5098  0.8426  0.4226  1
  O  O78  1  0.5106  0.1603  0.5782  1
  O  O79  1  0.5123  0.6355  0.9227  1
  O  O80  1  0.5135  0.3565  0.3617  1
  O  O81  1  0.5207  0.1124  0.8621  1
  O  O82  1  0.5230  0.2911  0.7592  1
  O  O83  1  0.5313  0.1594  0.2552  1
  O  O84  1  0.5353  0.1469  0.9684  1
  O  O85  1  0.5373  0.3188  0.4689  1
  O  O86  1  0.6371  0.8767  0.6465  1
  O  O87  1  0.6392  0.4949  0.1394  1
  O  O88  1  0.6449  0.4886  0.4171  1
  O  O89  1  0.6474  0.8616  0.9246  1
  O  O90  1  0.6641  0.4927  0.7444  1
  O  O91  1  0.6902  0.8492  0.2473  1
  O  O92  1  0.6952  0.8314  0.5304  1
  O  O93  1  0.7000  0.4633  0.0242  1
  O  O94  1  0.7912  0.0273  0.1979  1
  O  O95  1  0.7955  0.0267  0.9135  1
  O  O96  1  0.7962  0.1802  0.4087  1
  O  O97  1  0.8054  0.1642  0.6977  1
  O  O98  1  0.8092  0.9907  0.3055  1
  O  O99  1  0.8161  0.2113  0.8154  1
  O  O100  1  0.8264  0.6943  0.7449  1
  O  O101  1  0.8357  0.4648  0.5199  1
  O  O102  1  0.8419  0.1797  0.0938  1
  O  O103  1  0.8473  0.6940  0.0311  1
  O  O104  1  0.8528  0.9615  0.5888  1
  O  O105  1  0.8556  0.4675  0.2417  1
  O  O106  1  0.8616  0.4990  0.6362  1
  O  O107  1  0.8686  0.4990  0.9212  1
  O  O108  1  0.8695  0.6511  0.1388  1
  O  O109  1  0.8725  0.6266  0.4188  1
  O  O110  1  0.9676  0.8306  0.0887  1
  O  O111  1  0.9711  0.2189  0.3053  1
  O  O112  1  0.9713  0.8317  0.8060  1
  O  O113  1  0.9847  0.1783  0.5899  1
]