data_[Na3La6Al6P3S15O72]
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
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.7343]
_cell_length_b [8.7576]
_cell_length_c [23.7669]
_cell_angle_alpha [89.8865]
_cell_angle_beta [89.8157]
_cell_angle_gamma [60.3131]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaLa2Al2PS5O24]
_chemical_formula_sum '[Na3 La6 Al6 P3 S15 O72]'
_cell_volume [1579.3560]
_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  0.6559  0.6686  0.1690  1
  Na  Na1  1  0.6771  0.6682  0.6538  1
  Na  Na2  1  0.9996  0.0121  0.0036  1
  La  La3  1  0.0007  0.0119  0.1579  1
  La  La4  1  0.3397  0.3256  0.1999  1
  La  La5  1  0.3401  0.3281  0.9825  1
  La  La6  1  0.6573  0.6630  0.0227  1
  La  La7  1  0.6752  0.6657  0.8011  1
  La  La8  1  0.9998  0.9915  0.8352  1
  Al  Al9  1  0.0017  0.9982  0.3596  1
  Al  Al10  1  0.3280  0.3400  0.6716  1
  Al  Al11  1  0.3356  0.3327  0.4852  1
  Al  Al12  1  0.6649  0.6660  0.5116  1
  Al  Al13  1  0.6654  0.6676  0.3323  1
  Al  Al14  1  0.9954  0.9961  0.6425  1
  P  P15  1  0.0211  0.6905  0.7293  1
  P  P16  1  0.3309  0.0257  0.0888  1
  P  P17  1  0.6447  0.3298  0.0886  1
  S  S18  1  0.0281  0.6418  0.0888  1
  S  S19  1  0.0455  0.3361  0.5776  1
  S  S20  1  0.2840  0.0239  0.7284  1
  S  S21  1  0.3092  0.7225  0.2697  1
  S  S22  1  0.3396  0.6170  0.5776  1
  S  S23  1  0.3513  0.6752  0.9109  1
  S  S24  1  0.3800  0.9560  0.4222  1
  S  S25  1  0.6175  0.0466  0.5784  1
  S  S26  1  0.6629  0.3803  0.4223  1
  S  S27  1  0.6763  0.9696  0.9135  1
  S  S28  1  0.6897  0.2865  0.7287  1
  S  S29  1  0.7258  0.9655  0.2698  1
  S  S30  1  0.9555  0.6646  0.4224  1
  S  S31  1  0.9669  0.3121  0.2711  1
  S  S32  1  0.9721  0.3527  0.9128  1
  O  O33  1  0.0086  0.8178  0.0848  1
  O  O34  1  0.0229  0.1825  0.5894  1
  O  O35  1  0.0428  0.7494  0.7885  1
  O  O36  1  0.1060  0.5518  0.0350  1
  O  O37  1  0.1246  0.3779  0.6266  1
  O  O38  1  0.1260  0.3277  0.2686  1
  O  O39  1  0.1284  0.5086  0.4357  1
  O  O40  1  0.1378  0.5479  0.1382  1
  O  O41  1  0.1421  0.3460  0.9077  1
  O  O42  1  0.1644  0.2987  0.5276  1
  O  O43  1  0.1739  0.8316  0.9138  1
  O  O44  1  0.1758  0.9908  0.0840  1
  O  O45  1  0.1763  0.0025  0.6843  1
  O  O46  1  0.1815  0.8290  0.3143  1
  O  O47  1  0.1855  0.5155  0.7166  1
  O  O48  1  0.1865  0.7915  0.5897  1
  O  O49  1  0.2015  0.0506  0.7846  1
  O  O50  1  0.2034  0.9788  0.4091  1
  O  O51  1  0.2567  0.8109  0.2143  1
  O  O52  1  0.3006  0.5369  0.5279  1
  O  O53  1  0.3020  0.1792  0.7170  1
  O  O54  1  0.3037  0.1407  0.1414  1
  O  O55  1  0.3215  0.5497  0.2676  1
  O  O56  1  0.3372  0.1112  0.0329  1
  O  O57  1  0.3403  0.5146  0.9065  1
  O  O58  1  0.3647  0.1286  0.4358  1
  O  O59  1  0.3849  0.4949  0.6264  1
  O  O60  1  0.4406  0.6770  0.9635  1
  O  O61  1  0.4460  0.6893  0.8607  1
  O  O62  1  0.4578  0.8307  0.4711  1
  O  O63  1  0.4592  0.8621  0.7289  1
  O  O64  1  0.4842  0.7049  0.2816  1
  O  O65  1  0.4958  0.1256  0.6272  1
  O  O66  1  0.5007  0.6353  0.5661  1
  O  O67  1  0.5029  0.8512  0.0967  1
  O  O68  1  0.5031  0.8773  0.3735  1
  O  O69  1  0.5058  0.3630  0.4363  1
  O  O70  1  0.5143  0.1390  0.9074  1
  O  O71  1  0.5218  0.2925  0.7170  1
  O  O72  1  0.5394  0.1636  0.5283  1
  O  O73  1  0.5440  0.3175  0.1404  1
  O  O74  1  0.5489  0.3540  0.0322  1
  O  O75  1  0.5517  0.1242  0.2681  1
  O  O76  1  0.6170  0.5043  0.3739  1
  O  O77  1  0.6358  0.8684  0.5677  1
  O  O78  1  0.6674  0.4657  0.7289  1
  O  O79  1  0.6730  0.4874  0.0981  1
  O  O80  1  0.6762  0.8791  0.9660  1
  O  O81  1  0.6925  0.8616  0.8630  1
  O  O82  1  0.7078  0.8088  0.2819  1
  O  O83  1  0.7101  0.4589  0.4712  1
  O  O84  1  0.7473  0.2064  0.7849  1
  O  O85  1  0.7936  0.0264  0.5904  1
  O  O86  1  0.8100  0.4839  0.2838  1
  O  O87  1  0.8142  0.9313  0.2144  1
  O  O88  1  0.8156  0.2054  0.4090  1
  O  O89  1  0.8229  0.1605  0.0837  1
  O  O90  1  0.8230  0.1850  0.6848  1
  O  O91  1  0.8295  0.7114  0.4714  1
  O  O92  1  0.8309  0.9953  0.9159  1
  O  O93  1  0.8311  0.9889  0.3144  1
  O  O94  1  0.8534  0.6717  0.7291  1
  O  O95  1  0.8546  0.6553  0.0967  1
  O  O96  1  0.8627  0.4472  0.8627  1
  O  O97  1  0.8682  0.4971  0.5669  1
  O  O98  1  0.8757  0.6210  0.3738  1
  O  O99  1  0.8813  0.4416  0.9656  1
  O  O100  1  0.9292  0.2624  0.2154  1
  O  O101  1  0.9786  0.8183  0.4092  1
  O  O102  1  0.9914  0.1802  0.3146  1
  O  O103  1  0.9926  0.8311  0.6849  1
  O  O104  1  0.9947  0.1743  0.9142  1
]