data_[K9Na3B36O60]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.7083]
_cell_length_b [9.2832]
_cell_length_c [21.0043]
_cell_angle_alpha [86.1027]
_cell_angle_beta [89.7779]
_cell_angle_gamma [89.9258]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [K3Na(B3O5)4]
_chemical_formula_sum '[K9 Na3 B36 O60]'
_cell_volume [1304.9894]
_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
[
  K  K0  1  0.1849  0.5904  0.8816  1
  K  K1  1  0.1949  0.7774  0.0344  1
  K  K2  1  0.3050  0.7775  0.5346  1
  K  K3  1  0.3151  0.5902  0.3816  1
  K  K4  1  0.6849  0.4095  0.6185  1
  K  K5  1  0.6952  0.2225  0.4655  1
  K  K6  1  0.8049  0.2226  0.9654  1
  K  K7  1  0.8151  0.4096  0.1183  1
  K  K8  1  0.9811  0.9304  0.2574  1
  Na  Na9  1  0.0075  0.0668  0.7459  1
  Na  Na10  1  0.4915  0.0678  0.2458  1
  Na  Na11  1  0.5076  0.9331  0.7541  1
  B  B12  1  0.0052  0.1505  0.5864  1
  B  B13  1  0.0336  0.4144  0.7219  1
  B  B14  1  0.0752  0.1997  0.3265  1
  B  B15  1  0.1413  0.1108  0.1067  1
  B  B16  1  0.2013  0.0080  0.8774  1
  B  B17  1  0.2160  0.4893  0.6251  1
  B  B18  1  0.2168  0.6497  0.7158  1
  B  B19  1  0.2420  0.2477  0.4247  1
  B  B20  1  0.2501  0.3250  0.5350  1
  B  B21  1  0.2505  0.3255  0.0346  1
  B  B22  1  0.2581  0.2470  0.9239  1
  B  B23  1  0.2851  0.4887  0.1249  1
  B  B24  1  0.2860  0.6470  0.2159  1
  B  B25  1  0.3009  0.0104  0.3780  1
  B  B26  1  0.3579  0.1102  0.6080  1
  B  B27  1  0.4278  0.1959  0.8255  1
  B  B28  1  0.4684  0.4126  0.2215  1
  B  B29  1  0.4941  0.1513  0.0860  1
  B  B30  1  0.5051  0.8494  0.9137  1
  B  B31  1  0.5333  0.5857  0.7782  1
  B  B32  1  0.5690  0.8042  0.1735  1
  B  B33  1  0.6421  0.8899  0.3928  1
  B  B34  1  0.7011  0.9921  0.6226  1
  B  B35  1  0.7156  0.5109  0.8748  1
  B  B36  1  0.7167  0.3501  0.7842  1
  B  B37  1  0.7412  0.7523  0.0757  1
  B  B38  1  0.7497  0.6752  0.9650  1
  B  B39  1  0.7503  0.6749  0.4653  1
  B  B40  1  0.7583  0.7530  0.5761  1
  B  B41  1  0.7824  0.3495  0.2844  1
  B  B42  1  0.7835  0.5107  0.3750  1
  B  B43  1  0.7962  0.9927  0.1208  1
  B  B44  1  0.8580  0.8898  0.8921  1
  B  B45  1  0.9277  0.8040  0.6744  1
  B  B46  1  0.9678  0.5817  0.2784  1
  B  B47  1  0.9952  0.8502  0.4143  1
  O  O48  1  0.0010  0.0283  0.1395  1
  O  O49  1  0.0481  0.2615  0.5423  1
  O  O50  1  0.0871  0.7811  0.7132  1
  O  O51  1  0.0965  0.2272  0.0663  1
  O  O52  1  0.1024  0.5307  0.7511  1
  O  O53  1  0.1031  0.3862  0.6608  1
  O  O54  1  0.1119  0.6749  0.2554  1
  O  O55  1  0.1165  0.2936  0.3743  1
  O  O56  1  0.1568  0.0691  0.6176  1
  O  O57  1  0.1847  0.1094  0.9291  1
  O  O58  1  0.1912  0.8798  0.4017  1
  O  O59  1  0.2044  0.0843  0.3206  1
  O  O60  1  0.2098  0.3487  0.9659  1
  O  O61  1  0.2228  0.6116  0.1513  1
  O  O62  1  0.2331  0.4661  0.0634  1
  O  O63  1  0.2676  0.4658  0.5634  1
  O  O64  1  0.2792  0.6121  0.6513  1
  O  O65  1  0.2918  0.3491  0.4665  1
  O  O66  1  0.3056  0.0765  0.8193  1
  O  O67  1  0.3084  0.8782  0.9023  1
  O  O68  1  0.3154  0.1100  0.4302  1
  O  O69  1  0.3422  0.0698  0.1173  1
  O  O70  1  0.3821  0.2911  0.8726  1
  O  O71  1  0.3935  0.6834  0.7542  1
  O  O72  1  0.3976  0.3850  0.1607  1
  O  O73  1  0.4030  0.5296  0.2507  1
  O  O74  1  0.4038  0.2258  0.5669  1
  O  O75  1  0.4114  0.7803  0.2132  1
  O  O76  1  0.4520  0.2620  0.0419  1
  O  O77  1  0.4965  0.0287  0.6423  1
  O  O78  1  0.5045  0.9713  0.3582  1
  O  O79  1  0.5476  0.7387  0.9579  1
  O  O80  1  0.5878  0.2188  0.7866  1
  O  O81  1  0.5961  0.7736  0.4334  1
  O  O82  1  0.6026  0.6141  0.8391  1
  O  O83  1  0.6026  0.4692  0.7490  1
  O  O84  1  0.6068  0.3140  0.2458  1
  O  O85  1  0.6181  0.7076  0.1271  1
  O  O86  1  0.6571  0.9309  0.8823  1
  O  O87  1  0.6852  0.8906  0.5710  1
  O  O88  1  0.6860  0.9259  0.1780  1
  O  O89  1  0.6911  0.1231  0.0966  1
  O  O90  1  0.7094  0.6518  0.5341  1
  O  O91  1  0.7199  0.3878  0.3488  1
  O  O92  1  0.7325  0.5343  0.4367  1
  O  O93  1  0.7674  0.5345  0.9363  1
  O  O94  1  0.7784  0.3878  0.8486  1
  O  O95  1  0.7906  0.6510  0.0337  1
  O  O96  1  0.8052  0.9235  0.6806  1
  O  O97  1  0.8084  0.1216  0.5977  1
  O  O98  1  0.8132  0.8901  0.0699  1
  O  O99  1  0.8426  0.9324  0.3840  1
  O  O100  1  0.8823  0.7089  0.6272  1
  O  O101  1  0.8940  0.3164  0.7458  1
  O  O102  1  0.8951  0.4676  0.2487  1
  O  O103  1  0.8964  0.6132  0.3390  1
  O  O104  1  0.9036  0.7743  0.9331  1
  O  O105  1  0.9153  0.2198  0.2876  1
  O  O106  1  0.9528  0.7381  0.4578  1
  O  O107  1  0.9971  0.9715  0.8578  1
]