data_[Na9Zn3Sn9P15S3O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zn  1.6500  1.3500  0.8800
  Sn  1.9600  1.4500  0.8300
  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 [8.7821]
_cell_length_b [8.7823]
_cell_length_c [22.6547]
_cell_angle_alpha [89.8054]
_cell_angle_beta [89.7134]
_cell_angle_gamma [60.0568]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na3ZnSn3P5SO24]
_chemical_formula_sum '[Na9 Zn3 Sn9 P15 S3 O72]'
_cell_volume [1514.0341]
_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  0.0003  0.0114  0.9992  1
  Na  Na1  1  0.0311  0.6746  0.4093  1
  Na  Na2  1  0.3326  0.3469  0.8279  1
  Na  Na3  1  0.3366  0.3298  0.3263  1
  Na  Na4  1  0.3633  0.0105  0.7442  1
  Na  Na5  1  0.6591  0.6673  0.1673  1
  Na  Na6  1  0.6697  0.6543  0.6660  1
  Na  Na7  1  0.9753  0.6892  0.0870  1
  Na  Na8  1  0.9979  0.0195  0.4947  1
  Zn  Zn9  1  0.0003  0.0002  0.3530  1
  Zn  Zn10  1  0.3248  0.3413  0.1818  1
  Zn  Zn11  1  0.3460  0.3321  0.6860  1
  Sn  Sn12  1  0.3352  0.3303  0.9822  1
  Sn  Sn13  1  0.3432  0.3225  0.4828  1
  Sn  Sn14  1  0.6591  0.6659  0.5184  1
  Sn  Sn15  1  0.6620  0.6673  0.0173  1
  Sn  Sn16  1  0.6696  0.6631  0.8152  1
  Sn  Sn17  1  0.6710  0.6656  0.3159  1
  Sn  Sn18  1  0.9971  0.0067  0.6484  1
  Sn  Sn19  1  0.9983  0.0011  0.1501  1
  Sn  Sn20  1  0.9992  0.9993  0.8528  1
  P  P21  1  0.0022  0.7010  0.2521  1
  P  P22  1  0.0395  0.3311  0.0837  1
  P  P23  1  0.2909  0.7062  0.7506  1
  P  P24  1  0.3333  0.0373  0.5861  1
  P  P25  1  0.3355  0.6255  0.0848  1
  P  P26  1  0.3716  0.9626  0.9154  1
  P  P27  1  0.3724  0.6657  0.4163  1
  P  P28  1  0.6234  0.0424  0.0852  1
  P  P29  1  0.6283  0.3324  0.5845  1
  P  P30  1  0.6651  0.9596  0.4170  1
  P  P31  1  0.6660  0.3722  0.9168  1
  P  P32  1  0.7094  0.9984  0.7508  1
  P  P33  1  0.9619  0.3707  0.4186  1
  P  P34  1  0.9627  0.6650  0.9180  1
  P  P35  1  0.9991  0.2965  0.7504  1
  S  S36  1  0.0384  0.6282  0.5832  1
  S  S37  1  0.2957  0.9994  0.2512  1
  S  S38  1  0.7044  0.2955  0.2517  1
  O  O39  1  0.0161  0.7916  0.3073  1
  O  O40  1  0.0166  0.1672  0.0898  1
  O  O41  1  0.0198  0.8066  0.5867  1
  O  O42  1  0.0335  0.1777  0.8056  1
  O  O43  1  0.1138  0.3729  0.1371  1
  O  O44  1  0.1209  0.5200  0.6348  1
  O  O45  1  0.1391  0.5543  0.5266  1
  O  O46  1  0.1416  0.3679  0.4249  1
  O  O47  1  0.1461  0.4992  0.9224  1
  O  O48  1  0.1487  0.2969  0.0261  1
  O  O49  1  0.1633  0.5190  0.2461  1
  O  O50  1  0.1639  0.3112  0.7447  1
  O  O51  1  0.1647  0.8123  0.0889  1
  O  O52  1  0.1693  0.0113  0.5872  1
  O  O53  1  0.1823  0.7902  0.8073  1
  O  O54  1  0.1877  0.9800  0.9118  1
  O  O55  1  0.1887  0.8241  0.4112  1
  O  O56  1  0.1897  0.0191  0.3035  1
  O  O57  1  0.2115  0.8306  0.6960  1
  O  O58  1  0.2189  0.9697  0.1956  1
  O  O59  1  0.2925  0.5512  0.0285  1
  O  O60  1  0.3000  0.1513  0.5296  1
  O  O61  1  0.3104  0.5268  0.7448  1
  O  O62  1  0.3202  0.1507  0.2449  1
  O  O63  1  0.3521  0.4984  0.4225  1
  O  O64  1  0.3559  0.1153  0.6427  1
  O  O65  1  0.3564  0.1446  0.9211  1
  O  O66  1  0.3654  0.5179  0.1396  1
  O  O67  1  0.4529  0.6950  0.4723  1
  O  O68  1  0.4550  0.8470  0.9702  1
  O  O69  1  0.4722  0.7021  0.7555  1
  O  O70  1  0.4726  0.8313  0.2540  1
  O  O71  1  0.4796  0.8840  0.8581  1
  O  O72  1  0.4910  0.6274  0.3610  1
  O  O73  1  0.4958  0.1412  0.4217  1
  O  O74  1  0.4969  0.6506  0.0768  1
  O  O75  1  0.4997  0.3555  0.9224  1
  O  O76  1  0.5028  0.8538  0.5786  1
  O  O77  1  0.5144  0.1214  0.1395  1
  O  O78  1  0.5168  0.3640  0.6386  1
  O  O79  1  0.5245  0.1563  0.7472  1
  O  O80  1  0.5326  0.3119  0.2455  1
  O  O81  1  0.5511  0.3054  0.5263  1
  O  O82  1  0.5513  0.1483  0.0270  1
  O  O83  1  0.6284  0.8801  0.3616  1
  O  O84  1  0.6336  0.4847  0.8610  1
  O  O85  1  0.6548  0.4954  0.5788  1
  O  O86  1  0.6557  0.8498  0.0775  1
  O  O87  1  0.6875  0.4764  0.2542  1
  O  O88  1  0.6908  0.8297  0.7553  1
  O  O89  1  0.6990  0.4522  0.9722  1
  O  O90  1  0.6998  0.8404  0.4720  1
  O  O91  1  0.7928  0.0247  0.8066  1
  O  O92  1  0.7937  0.1923  0.3039  1
  O  O93  1  0.8137  0.1631  0.5870  1
  O  O94  1  0.8140  0.2234  0.1960  1
  O  O95  1  0.8162  0.0131  0.0888  1
  O  O96  1  0.8247  0.9619  0.6950  1
  O  O97  1  0.8265  0.6898  0.2531  1
  O  O98  1  0.8295  0.4780  0.7560  1
  O  O99  1  0.8298  0.9748  0.4122  1
  O  O100  1  0.8321  0.1886  0.9119  1
  O  O101  1  0.8494  0.4562  0.4743  1
  O  O102  1  0.8544  0.5001  0.0758  1
  O  O103  1  0.8550  0.6945  0.9755  1
  O  O104  1  0.8594  0.6490  0.5778  1
  O  O105  1  0.8772  0.6354  0.8634  1
  O  O106  1  0.8858  0.4950  0.3636  1
  O  O107  1  0.9612  0.2184  0.6949  1
  O  O108  1  0.9698  0.8132  0.1933  1
  O  O109  1  0.9785  0.8322  0.9130  1
  O  O110  1  0.9829  0.1911  0.4112  1
]