data_[Na12Zr3Zn9Si3S15O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zr  1.3300  1.5500  0.8600
  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 [P1]
_cell_length_a [8.9276]
_cell_length_b [8.9291]
_cell_length_c [22.7857]
_cell_angle_alpha [89.3021]
_cell_angle_beta [89.3058]
_cell_angle_gamma [60.0126]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na4ZrZn3SiS5O24]
_chemical_formula_sum '[Na12 Zr3 Zn9 Si3 S15 O72]'
_cell_volume [1573.0661]
_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  0.0114  0.0026  0.9972  1
  Na  Na1  1  0.0305  0.6720  0.0890  1
  Na  Na2  1  0.2872  0.0223  0.0822  1
  Na  Na3  1  0.3245  0.3418  0.1754  1
  Na  Na4  1  0.3292  0.3498  0.6724  1
  Na  Na5  1  0.3422  0.9694  0.4123  1
  Na  Na6  1  0.3648  0.9994  0.7505  1
  Na  Na7  1  0.6770  0.6544  0.8348  1
  Na  Na8  1  0.6775  0.6829  0.3383  1
  Na  Na9  1  0.6784  0.3088  0.0832  1
  Na  Na10  1  0.7003  0.3269  0.4171  1
  Na  Na11  1  0.9871  0.9890  0.5017  1
  Zr  Zr12  1  0.3252  0.3418  0.0147  1
  Zr  Zr13  1  0.3444  0.3264  0.5197  1
  Zr  Zr14  1  0.6698  0.6548  0.1857  1
  Zn  Zn15  1  0.0159  0.9979  0.1513  1
  Zn  Zn16  1  0.3340  0.3421  0.8171  1
  Zn  Zn17  1  0.3418  0.3194  0.3186  1
  Zn  Zn18  1  0.6591  0.6489  0.9850  1
  Zn  Zn19  1  0.6777  0.6837  0.4862  1
  Zn  Zn20  1  0.6785  0.6546  0.6828  1
  Zn  Zn21  1  0.9839  0.9894  0.3496  1
  Zn  Zn22  1  0.9950  0.0014  0.8468  1
  Zn  Zn23  1  0.9964  0.9983  0.6536  1
  Si  Si24  1  0.3694  0.6715  0.0811  1
  Si  Si25  1  0.6347  0.0301  0.4137  1
  Si  Si26  1  0.9590  0.3698  0.0813  1
  S  S27  1  0.0047  0.7020  0.2500  1
  S  S28  1  0.0309  0.6362  0.9131  1
  S  S29  1  0.0395  0.3365  0.4154  1
  S  S30  1  0.2923  0.0049  0.2518  1
  S  S31  1  0.2934  0.7069  0.7497  1
  S  S32  1  0.3328  0.6272  0.4150  1
  S  S33  1  0.3353  0.0334  0.9135  1
  S  S34  1  0.3673  0.9572  0.5850  1
  S  S35  1  0.6335  0.3296  0.9132  1
  S  S36  1  0.6673  0.9575  0.0814  1
  S  S37  1  0.6722  0.3751  0.5830  1
  S  S38  1  0.7045  0.9998  0.7501  1
  S  S39  1  0.7045  0.2894  0.2505  1
  S  S40  1  0.9598  0.6711  0.5851  1
  S  S41  1  0.9997  0.2930  0.7500  1
  O  O42  1  0.0215  0.7812  0.1942  1
  O  O43  1  0.0243  0.8048  0.9102  1
  O  O44  1  0.0305  0.1835  0.6975  1
  O  O45  1  0.0362  0.1709  0.4125  1
  O  O46  1  0.1126  0.3697  0.3626  1
  O  O47  1  0.1225  0.5231  0.8635  1
  O  O48  1  0.1366  0.5115  0.5782  1
  O  O49  1  0.1386  0.5496  0.9694  1
  O  O50  1  0.1493  0.3156  0.4683  1
  O  O51  1  0.1573  0.3435  0.0762  1
  O  O52  1  0.1583  0.5271  0.2555  1
  O  O53  1  0.1616  0.3056  0.7551  1
  O  O54  1  0.1723  0.8265  0.0909  1
  O  O55  1  0.1758  0.0220  0.9121  1
  O  O56  1  0.1837  0.8060  0.4119  1
  O  O57  1  0.1895  0.7856  0.6964  1
  O  O58  1  0.1918  0.9813  0.5907  1
  O  O59  1  0.1967  0.0199  0.1972  1
  O  O60  1  0.2114  0.9800  0.3051  1
  O  O61  1  0.2137  0.8161  0.8024  1
  O  O62  1  0.3046  0.5446  0.4690  1
  O  O63  1  0.3082  0.1619  0.2541  1
  O  O64  1  0.3144  0.5311  0.7564  1
  O  O65  1  0.3155  0.1428  0.9680  1
  O  O66  1  0.3488  0.1370  0.5780  1
  O  O67  1  0.3515  0.1235  0.8608  1
  O  O68  1  0.3552  0.5228  0.3631  1
  O  O69  1  0.3652  0.4875  0.0751  1
  O  O70  1  0.4444  0.7265  0.0262  1
  O  O71  1  0.4475  0.8585  0.5308  1
  O  O72  1  0.4677  0.6944  0.7436  1
  O  O73  1  0.4711  0.8465  0.2466  1
  O  O74  1  0.4738  0.8821  0.6379  1
  O  O75  1  0.4936  0.8649  0.9192  1
  O  O76  1  0.4945  0.6348  0.4226  1
  O  O77  1  0.4985  0.6306  0.1386  1
  O  O78  1  0.5038  0.1185  0.3598  1
  O  O79  1  0.5069  0.1332  0.0759  1
  O  O80  1  0.5081  0.3600  0.5788  1
  O  O81  1  0.5225  0.3486  0.8635  1
  O  O82  1  0.5250  0.1553  0.7552  1
  O  O83  1  0.5273  0.3169  0.2544  1
  O  O84  1  0.5338  0.1623  0.4716  1
  O  O85  1  0.5489  0.3112  0.9698  1
  O  O86  1  0.6315  0.8814  0.1353  1
  O  O87  1  0.6411  0.8455  0.4228  1
  O  O88  1  0.6432  0.4822  0.6347  1
  O  O89  1  0.6472  0.4867  0.9170  1
  O  O90  1  0.6799  0.8452  0.7450  1
  O  O91  1  0.6890  0.4544  0.5274  1
  O  O92  1  0.6904  0.4672  0.2468  1
  O  O93  1  0.6988  0.8524  0.0298  1
  O  O94  1  0.7836  0.0257  0.6965  1
  O  O95  1  0.7865  0.1923  0.1963  1
  O  O96  1  0.8043  0.1699  0.9106  1
  O  O97  1  0.8076  0.2119  0.3038  1
  O  O98  1  0.8080  0.9750  0.8029  1
  O  O99  1  0.8151  0.9845  0.0911  1
  O  O100  1  0.8171  0.0313  0.4129  1
  O  O101  1  0.8224  0.1988  0.5887  1
  O  O102  1  0.8420  0.6887  0.2466  1
  O  O103  1  0.8425  0.4558  0.0251  1
  O  O104  1  0.8452  0.4684  0.7439  1
  O  O105  1  0.8596  0.4802  0.4238  1
  O  O106  1  0.8602  0.6528  0.9206  1
  O  O107  1  0.8607  0.6929  0.5313  1
  O  O108  1  0.8787  0.5017  0.1386  1
  O  O109  1  0.8822  0.6407  0.6378  1
  O  O110  1  0.9742  0.2138  0.8038  1
  O  O111  1  0.9780  0.1810  0.0913  1
  O  O112  1  0.9805  0.8250  0.5902  1
  O  O113  1  0.9805  0.8077  0.3015  1
]