data_[Na6Ca6Si3Sn6S15O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Si  1.9000  1.1000  0.5400
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [9.0293]
_cell_length_b [9.0314]
_cell_length_c [23.4598]
_cell_angle_alpha [89.9299]
_cell_angle_beta [89.8999]
_cell_angle_gamma [60.0609]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2Ca2SiSn2S5O24]
_chemical_formula_sum '[Na6 Ca6 Si3 Sn6 S15 O72]'
_cell_volume [1657.8014]
_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  0.0001  0.0009  0.5006  1
  Na  Na1  1  0.0184  0.9861  0.9990  1
  Na  Na2  1  0.3232  0.3299  0.3347  1
  Na  Na3  1  0.3255  0.3698  0.8338  1
  Na  Na4  1  0.6858  0.6722  0.6625  1
  Na  Na5  1  0.6883  0.6423  0.1764  1
  Ca  Ca6  1  0.3287  0.3356  0.4790  1
  Ca  Ca7  1  0.3319  0.3432  0.9755  1
  Ca  Ca8  1  0.6702  0.6685  0.5149  1
  Ca  Ca9  1  0.6706  0.6618  0.3162  1
  Ca  Ca10  1  0.9985  0.9884  0.6511  1
  Ca  Ca11  1  1.0000  0.0039  0.1474  1
  Si  Si12  1  0.0061  0.2970  0.2472  1
  Si  Si13  1  0.3728  0.6759  0.9133  1
  Si  Si14  1  0.9988  0.6938  0.7502  1
  Sn  Sn15  1  0.0029  0.0088  0.3461  1
  Sn  Sn16  1  0.0142  0.9784  0.8484  1
  Sn  Sn17  1  0.3238  0.3441  0.6845  1
  Sn  Sn18  1  0.3281  0.3317  0.1862  1
  Sn  Sn19  1  0.6561  0.6680  0.0172  1
  Sn  Sn20  1  0.6677  0.6643  0.8145  1
  S  S21  1  0.0261  0.6250  0.0808  1
  S  S22  1  0.0358  0.3359  0.5862  1
  S  S23  1  0.2924  0.6987  0.2487  1
  S  S24  1  0.3002  0.0034  0.7512  1
  S  S25  1  0.3412  0.6244  0.5853  1
  S  S26  1  0.3480  0.0321  0.0811  1
  S  S27  1  0.3539  0.9668  0.4136  1
  S  S28  1  0.6166  0.0458  0.5876  1
  S  S29  1  0.6202  0.3440  0.0831  1
  S  S30  1  0.6776  0.3524  0.4139  1
  S  S31  1  0.6783  0.9502  0.9153  1
  S  S32  1  0.6991  0.0098  0.2490  1
  S  S33  1  0.7034  0.2932  0.7529  1
  S  S34  1  0.9508  0.3671  0.9144  1
  S  S35  1  0.9695  0.6831  0.4119  1
  O  O36  1  0.0208  0.1816  0.5903  1
  O  O37  1  0.0361  0.7770  0.8084  1
  O  O38  1  0.0377  0.1784  0.3055  1
  O  O39  1  0.1047  0.5241  0.1348  1
  O  O40  1  0.1219  0.3508  0.6410  1
  O  O41  1  0.1241  0.3375  0.9192  1
  O  O42  1  0.1260  0.5402  0.0307  1
  O  O43  1  0.1354  0.3254  0.5359  1
  O  O44  1  0.1451  0.5362  0.4153  1
  O  O45  1  0.1742  0.4984  0.7465  1
  O  O46  1  0.1802  0.9745  0.4111  1
  O  O47  1  0.1836  0.7741  0.3016  1
  O  O48  1  0.1853  0.8586  0.9101  1
  O  O49  1  0.1867  0.7940  0.5884  1
  O  O50  1  0.1874  0.3083  0.2455  1
  O  O51  1  0.1903  0.0382  0.8038  1
  O  O52  1  0.2035  0.0020  0.0845  1
  O  O53  1  0.2084  0.7939  0.1976  1
  O  O54  1  0.2226  0.9783  0.7011  1
  O  O55  1  0.3139  0.5201  0.2452  1
  O  O56  1  0.3222  0.1438  0.4160  1
  O  O57  1  0.3275  0.1537  0.7464  1
  O  O58  1  0.3288  0.5341  0.5358  1
  O  O59  1  0.3346  0.1320  0.0311  1
  O  O60  1  0.3498  0.5120  0.9138  1
  O  O61  1  0.3576  0.5240  0.6407  1
  O  O62  1  0.3688  0.1116  0.1353  1
  O  O63  1  0.4337  0.8714  0.4663  1
  O  O64  1  0.4518  0.8824  0.3626  1
  O  O65  1  0.4559  0.7058  0.9730  1
  O  O66  1  0.4602  0.6816  0.2549  1
  O  O67  1  0.4729  0.8478  0.7587  1
  O  O68  1  0.4899  0.6599  0.8579  1
  O  O69  1  0.4964  0.6393  0.5845  1
  O  O70  1  0.5142  0.8588  0.0798  1
  O  O71  1  0.5152  0.1318  0.6433  1
  O  O72  1  0.5179  0.3668  0.1376  1
  O  O73  1  0.5230  0.1148  0.9198  1
  O  O74  1  0.5246  0.1435  0.5376  1
  O  O75  1  0.5298  0.3250  0.4169  1
  O  O76  1  0.5302  0.3077  0.7489  1
  O  O77  1  0.5307  0.1793  0.2451  1
  O  O78  1  0.5314  0.3355  0.0331  1
  O  O79  1  0.6344  0.8742  0.5879  1
  O  O80  1  0.6363  0.5050  0.0814  1
  O  O81  1  0.6618  0.8719  0.2560  1
  O  O82  1  0.6642  0.4498  0.3628  1
  O  O83  1  0.6656  0.8627  0.8638  1
  O  O84  1  0.6750  0.4704  0.7602  1
  O  O85  1  0.6982  0.4301  0.4663  1
  O  O86  1  0.7124  0.8420  0.9681  1
  O  O87  1  0.7817  0.0315  0.3021  1
  O  O88  1  0.7832  0.0367  0.5903  1
  O  O89  1  0.7865  0.1876  0.8058  1
  O  O90  1  0.7902  0.1939  0.0860  1
  O  O91  1  0.8005  0.9842  0.1982  1
  O  O92  1  0.8057  0.2220  0.7024  1
  O  O93  1  0.8310  0.6653  0.7606  1
  O  O94  1  0.8314  0.9743  0.9106  1
  O  O95  1  0.8394  0.1756  0.4105  1
  O  O96  1  0.8451  0.4889  0.2520  1
  O  O97  1  0.8486  0.4469  0.9680  1
  O  O98  1  0.8510  0.6347  0.0776  1
  O  O99  1  0.8661  0.4922  0.5857  1
  O  O100  1  0.8722  0.4784  0.8640  1
  O  O101  1  0.8736  0.7068  0.4652  1
  O  O102  1  0.8845  0.6651  0.3620  1
  O  O103  1  0.9515  0.2014  0.9076  1
  O  O104  1  0.9605  0.8027  0.6946  1
  O  O105  1  0.9818  0.8461  0.4062  1
  O  O106  1  0.9886  0.2107  0.1896  1
  O  O107  1  0.9990  0.7985  0.0849  1
]