data_[Na6La6Al6Si3S15O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  La  1.1000  1.9500  1.1720
  Al  1.6100  1.2500  0.6750
  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 [8.7123]
_cell_length_b [8.8444]
_cell_length_c [23.8650]
_cell_angle_alpha [89.6840]
_cell_angle_beta [89.2719]
_cell_angle_gamma [60.6392]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2La2Al2SiS5O24]
_chemical_formula_sum '[Na6 La6 Al6 Si3 S15 O72]'
_cell_volume [1602.5852]
_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  0.3007  0.3823  0.3087  1
  Na  Na1  1  0.3251  0.3323  0.8486  1
  Na  Na2  1  0.6799  0.6713  0.1726  1
  Na  Na3  1  0.7014  0.6151  0.6778  1
  Na  Na4  1  0.9951  0.0039  0.4940  1
  Na  Na5  1  0.9992  0.0003  0.0032  1
  La  La6  1  0.3290  0.3253  0.6951  1
  La  La7  1  0.3402  0.3497  0.4718  1
  La  La8  1  0.6733  0.6323  0.5237  1
  La  La9  1  0.6763  0.6492  0.8306  1
  La  La10  1  0.9769  0.0365  0.6453  1
  La  La11  1  0.9941  0.9813  0.3295  1
  Al  Al12  1  0.3190  0.3419  0.1742  1
  Al  Al13  1  0.3329  0.3295  0.9950  1
  Al  Al14  1  0.6629  0.6646  0.0208  1
  Al  Al15  1  0.7059  0.6665  0.3145  1
  Al  Al16  1  0.9782  0.9914  0.1575  1
  Al  Al17  1  0.9966  0.0057  0.8401  1
  Si  Si18  1  0.0035  0.2971  0.7640  1
  Si  Si19  1  0.0064  0.6799  0.2421  1
  Si  Si20  1  0.6345  0.3301  0.5853  1
  S  S21  1  0.0316  0.6418  0.5823  1
  S  S22  1  0.0349  0.3397  0.0818  1
  S  S23  1  0.2823  0.7165  0.7635  1
  S  S24  1  0.2880  0.0130  0.2313  1
  S  S25  1  0.3384  0.0304  0.5781  1
  S  S26  1  0.3414  0.6180  0.0832  1
  S  S27  1  0.3740  0.9743  0.9344  1
  S  S28  1  0.4028  0.6627  0.3917  1
  S  S29  1  0.6200  0.0417  0.0838  1
  S  S30  1  0.6515  0.3664  0.9345  1
  S  S31  1  0.6616  0.9565  0.4061  1
  S  S32  1  0.6803  0.2995  0.2331  1
  S  S33  1  0.7046  0.0083  0.7696  1
  S  S34  1  0.9674  0.3699  0.3992  1
  S  S35  1  0.9787  0.6509  0.9356  1
  O  O36  1  0.0065  0.2081  0.7045  1
  O  O37  1  0.0122  0.1867  0.0910  1
  O  O38  1  0.0426  0.7999  0.5707  1
  O  O39  1  0.0707  0.7202  0.3016  1
  O  O40  1  0.0897  0.5316  0.5305  1
  O  O41  1  0.1179  0.3780  0.1296  1
  O  O42  1  0.1382  0.3644  0.3895  1
  O  O43  1  0.1398  0.5494  0.6313  1
  O  O44  1  0.1520  0.4953  0.9479  1
  O  O45  1  0.1530  0.3046  0.0317  1
  O  O46  1  0.1670  0.4974  0.2210  1
  O  O47  1  0.1768  0.9863  0.1884  1
  O  O48  1  0.1774  0.7986  0.7139  1
  O  O49  1  0.1851  0.3025  0.7733  1
  O  O50  1  0.1870  0.7928  0.0923  1
  O  O51  1  0.1923  0.8191  0.8176  1
  O  O52  1  0.1936  0.0601  0.2862  1
  O  O53  1  0.1992  0.9875  0.9302  1
  O  O54  1  0.2027  0.9801  0.5666  1
  O  O55  1  0.2284  0.8209  0.3962  1
  O  O56  1  0.2881  0.1390  0.6292  1
  O  O57  1  0.3074  0.5412  0.7725  1
  O  O58  1  0.3077  0.5343  0.0343  1
  O  O59  1  0.3100  0.1627  0.2153  1
  O  O60  1  0.3511  0.1261  0.5282  1
  O  O61  1  0.3556  0.1490  0.9459  1
  O  O62  1  0.3802  0.5013  0.1323  1
  O  O63  1  0.3840  0.5057  0.3848  1
  O  O64  1  0.4535  0.7125  0.7589  1
  O  O65  1  0.4581  0.8544  0.2352  1
  O  O66  1  0.4738  0.9162  0.8813  1
  O  O67  1  0.4751  0.8491  0.9809  1
  O  O68  1  0.4919  0.3517  0.9479  1
  O  O69  1  0.4975  0.6471  0.4437  1
  O  O70  1  0.4986  0.6796  0.3406  1
  O  O71  1  0.4989  0.1304  0.1312  1
  O  O72  1  0.5009  0.1251  0.3970  1
  O  O73  1  0.5027  0.6375  0.0726  1
  O  O74  1  0.5097  0.8734  0.5876  1
  O  O75  1  0.5102  0.3865  0.5288  1
  O  O76  1  0.5130  0.3032  0.2189  1
  O  O77  1  0.5456  0.1500  0.0326  1
  O  O78  1  0.5558  0.1854  0.7752  1
  O  O79  1  0.5675  0.2744  0.6419  1
  O  O80  1  0.6121  0.4509  0.8789  1
  O  O81  1  0.6393  0.8645  0.0764  1
  O  O82  1  0.6428  0.8805  0.7689  1
  O  O83  1  0.6479  0.8676  0.4559  1
  O  O84  1  0.6564  0.5003  0.5999  1
  O  O85  1  0.6601  0.4728  0.2371  1
  O  O86  1  0.6742  0.4800  0.9765  1
  O  O87  1  0.6909  0.8510  0.3531  1
  O  O88  1  0.7331  0.2052  0.2871  1
  O  O89  1  0.8007  0.0209  0.0936  1
  O  O90  1  0.8103  0.9855  0.7191  1
  O  O91  1  0.8103  0.1952  0.9332  1
  O  O92  1  0.8172  0.9835  0.4115  1
  O  O93  1  0.8180  0.2015  0.1884  1
  O  O94  1  0.8182  0.9703  0.8225  1
  O  O95  1  0.8247  0.6686  0.2554  1
  O  O96  1  0.8278  0.1716  0.5665  1
  O  O97  1  0.8374  0.4960  0.7607  1
  O  O98  1  0.8444  0.6751  0.9802  1
  O  O99  1  0.8468  0.6863  0.5949  1
  O  O100  1  0.8493  0.4659  0.3507  1
  O  O101  1  0.8577  0.4989  0.0732  1
  O  O102  1  0.8899  0.4590  0.4525  1
  O  O103  1  0.9271  0.6112  0.8813  1
  O  O104  1  0.9560  0.8390  0.1973  1
  O  O105  1  0.9701  0.1992  0.8187  1
  O  O106  1  0.9868  0.1947  0.4012  1
  O  O107  1  0.9930  0.8096  0.9325  1
]