data_[Li7Sc9Fe1Si20O60]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sc  1.3600  1.6000  0.8850
  Fe  1.8300  1.4000  0.8525
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [9.0439]
_cell_length_b [11.1570]
_cell_length_c [12.8889]
_cell_angle_alpha [104.6514]
_cell_angle_beta [90.0050]
_cell_angle_gamma [113.8998]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li7Sc9Fe(SiO3)20]
_chemical_formula_sum '[Li7 Sc9 Fe1 Si20 O60]'
_cell_volume [1142.5934]
_cell_formula_units_Z [1]
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
[
  Li  Li0  1  0.1027  0.7017  0.6483  1
  Li  Li1  1  0.2969  0.1009  0.9506  1
  Li  Li2  1  0.3022  0.0993  0.4510  1
  Li  Li3  1  0.5010  0.5001  0.2508  1
  Li  Li4  1  0.6904  0.8995  0.5497  1
  Li  Li5  1  0.7042  0.8993  0.0509  1
  Li  Li6  1  0.9021  0.2999  0.8491  1
  Sc  Sc7  1  0.0587  0.8948  0.0515  1
  Sc  Sc8  1  0.1460  0.5002  0.7498  1
  Sc  Sc9  1  0.2625  0.3046  0.8474  1
  Sc  Sc10  1  0.4570  0.6970  0.6517  1
  Sc  Sc11  1  0.5494  0.3027  0.3515  1
  Sc  Sc12  1  0.6618  0.1041  0.4492  1
  Sc  Sc13  1  0.7478  0.6979  0.1502  1
  Sc  Sc14  1  0.8609  0.4996  0.2504  1
  Sc  Sc15  1  0.9462  0.0992  0.9490  1
  Fe  Fe16  1  0.3480  0.9000  0.5496  1
  Si  Si17  1  0.0054  0.8270  0.3851  1
  Si  Si18  1  0.0812  0.9732  0.7159  1
  Si  Si19  1  0.1265  0.4255  0.0800  1
  Si  Si20  1  0.1997  0.2271  0.1827  1
  Si  Si21  1  0.2010  0.5769  0.4197  1
  Si  Si22  1  0.2665  0.3713  0.5156  1
  Si  Si23  1  0.3283  0.8298  0.8826  1
  Si  Si24  1  0.3975  0.6300  0.9847  1
  Si  Si25  1  0.4022  0.9748  0.2198  1
  Si  Si26  1  0.4715  0.7733  0.3184  1
  Si  Si27  1  0.5245  0.2228  0.6801  1
  Si  Si28  1  0.5967  0.3694  0.0170  1
  Si  Si29  1  0.6016  0.0269  0.7807  1
  Si  Si30  1  0.6734  0.1721  0.1169  1
  Si  Si31  1  0.7279  0.6312  0.4836  1
  Si  Si32  1  0.7959  0.4298  0.5851  1
  Si  Si33  1  0.8051  0.7744  0.8174  1
  Si  Si34  1  0.8662  0.5688  0.9148  1
  Si  Si35  1  0.9311  0.0251  0.2822  1
  Si  Si36  1  0.9981  0.1700  0.6173  1
  O  O37  1  0.0008  0.5138  0.8691  1
  O  O38  1  0.0155  0.5400  0.3785  1
  O  O39  1  0.0251  0.0362  0.6287  1
  O  O40  1  0.0577  0.2882  0.7345  1
  O  O41  1  0.0731  0.3091  0.9618  1
  O  O42  1  0.0833  0.1628  0.2706  1
  O  O43  1  0.1104  0.2355  0.5282  1
  O  O44  1  0.1341  0.0891  0.8342  1
  O  O45  1  0.1405  0.1103  0.0647  1
  O  O46  1  0.1807  0.3635  0.1691  1
  O  O47  1  0.1959  0.8830  0.4321  1
  O  O48  1  0.1965  0.8871  0.9289  1
  O  O49  1  0.2135  0.9157  0.6671  1
  O  O50  1  0.2164  0.9362  0.1780  1
  O  O51  1  0.2200  0.4395  0.4278  1
  O  O52  1  0.2661  0.6962  0.5370  1
  O  O53  1  0.2697  0.7118  0.7651  1
  O  O54  1  0.2827  0.5638  0.0732  1
  O  O55  1  0.3165  0.6358  0.3293  1
  O  O56  1  0.3175  0.4902  0.6314  1
  O  O57  1  0.3299  0.5117  0.8685  1
  O  O58  1  0.3760  0.2610  0.7202  1
  O  O59  1  0.3796  0.7663  0.9714  1
  O  O60  1  0.3890  0.2855  0.2306  1
  O  O61  1  0.4002  0.3152  0.4693  1
  O  O62  1  0.4076  0.3142  0.9709  1
  O  O63  1  0.4217  0.8386  0.2305  1
  O  O64  1  0.4648  0.0918  0.3376  1
  O  O65  1  0.4701  0.1037  0.5627  1
  O  O66  1  0.4866  0.9636  0.8692  1
  O  O67  1  0.5178  0.0351  0.1299  1
  O  O68  1  0.5242  0.8888  0.4377  1
  O  O69  1  0.5366  0.9112  0.6617  1
  O  O70  1  0.5801  0.1632  0.7703  1
  O  O71  1  0.5867  0.6853  0.0322  1
  O  O72  1  0.5952  0.6884  0.5289  1
  O  O73  1  0.6054  0.7177  0.2720  1
  O  O74  1  0.6177  0.2325  0.0269  1
  O  O75  1  0.6224  0.7421  0.7737  1
  O  O76  1  0.6568  0.4871  0.1348  1
  O  O77  1  0.6699  0.5138  0.3659  1
  O  O78  1  0.6813  0.3600  0.6722  1
  O  O79  1  0.7113  0.4331  0.9283  1
  O  O80  1  0.7207  0.2906  0.2326  1
  O  O81  1  0.7298  0.3112  0.4691  1
  O  O82  1  0.7748  0.5651  0.5722  1
  O  O83  1  0.7819  0.0590  0.3266  1
  O  O84  1  0.7915  0.0829  0.8264  1
  O  O85  1  0.8058  0.1147  0.0700  1
  O  O86  1  0.8081  0.1111  0.5717  1
  O  O87  1  0.8193  0.6354  0.8261  1
  O  O88  1  0.8661  0.8900  0.9362  1
  O  O89  1  0.8751  0.9084  0.1642  1
  O  O90  1  0.8886  0.7672  0.4749  1
  O  O91  1  0.9179  0.6874  0.0309  1
  O  O92  1  0.9279  0.8354  0.7299  1
  O  O93  1  0.9313  0.7094  0.2693  1
  O  O94  1  0.9775  0.4616  0.1227  1
  O  O95  1  0.9858  0.4863  0.6309  1
  O  O96  1  0.9933  0.9664  0.3714  1
]