data_[Li20La12Sb8O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  Sb  2.0500  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [11.2314]
_cell_length_b [11.2455]
_cell_length_c [11.2499]
_cell_angle_alpha [109.0406]
_cell_angle_beta [109.5199]
_cell_angle_gamma [109.6854]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li5La3(SbO6)2]
_chemical_formula_sum '[Li20 La12 Sb8 O48]'
_cell_volume [1096.0331]
_cell_formula_units_Z [4]
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  0.0771  0.6078  0.3201  1
  Li  Li1  1  0.1120  0.3203  0.5765  1
  Li  Li2  1  0.1908  0.4410  0.3947  1
  Li  Li3  1  0.2107  0.2435  0.8131  1
  Li  Li4  1  0.2478  0.5418  0.9267  1
  Li  Li5  1  0.2539  0.1819  0.2878  1
  Li  Li6  1  0.2752  0.1058  0.0117  1
  Li  Li7  1  0.3073  0.7094  0.2529  1
  Li  Li8  1  0.3903  0.9591  0.2085  1
  Li  Li9  1  0.4635  0.2084  0.8962  1
  Li  Li10  1  0.5439  0.7905  0.0998  1
  Li  Li11  1  0.5883  0.2607  0.4845  1
  Li  Li12  1  0.6030  0.0210  0.7774  1
  Li  Li13  1  0.7110  0.8904  0.9658  1
  Li  Li14  1  0.7504  0.8131  0.7091  1
  Li  Li15  1  0.7561  0.4749  0.0839  1
  Li  Li16  1  0.8136  0.5691  0.6086  1
  Li  Li17  1  0.8921  0.6899  0.4407  1
  Li  Li18  1  0.9255  0.3954  0.6836  1
  Li  Li19  1  0.9522  0.0565  0.2497  1
  La  La20  1  0.1092  0.8666  0.2498  1
  La  La21  1  0.1252  0.7565  0.8771  1
  La  La22  1  0.2492  0.8795  0.6278  1
  La  La23  1  0.2509  0.3818  0.1284  1
  La  La24  1  0.3794  0.2483  0.6227  1
  La  La25  1  0.3830  0.6326  0.7432  1
  La  La26  1  0.6175  0.3686  0.2512  1
  La  La27  1  0.6279  0.7522  0.3785  1
  La  La28  1  0.7489  0.6160  0.8746  1
  La  La29  1  0.7510  0.1195  0.3719  1
  La  La30  1  0.8711  0.2495  0.1186  1
  La  La31  1  0.8790  0.1289  0.7487  1
  Sb  Sb32  1  0.4967  0.9978  0.5013  1
  Sb  Sb33  1  0.5002  0.5037  0.4993  1
  Sb  Sb34  1  0.5003  0.5026  0.9993  1
  Sb  Sb35  1  0.5027  0.0013  0.0037  1
  Sb  Sb36  1  0.9973  0.4971  0.4987  1
  Sb  Sb37  1  0.9987  0.9983  0.9962  1
  Sb  Sb38  1  0.9994  0.9985  0.5018  1
  Sb  Sb39  1  0.9995  0.4982  0.9965  1
  O  O40  1  0.0086  0.6829  0.6135  1
  O  O41  1  0.0282  0.8272  0.4200  1
  O  O42  1  0.0738  0.1895  0.1758  1
  O  O43  1  0.0857  0.3899  0.9069  1
  O  O44  1  0.0982  0.4818  0.1766  1
  O  O45  1  0.1010  0.1253  0.9304  1
  O  O46  1  0.1127  0.0871  0.4142  1
  O  O47  1  0.1151  0.5121  0.6901  1
  O  O48  1  0.1730  0.6974  0.0809  1
  O  O49  1  0.1787  0.9850  0.0960  1
  O  O50  1  0.1859  0.6134  0.5114  1
  O  O51  1  0.2052  0.0895  0.6704  1
  O  O52  1  0.2893  0.8281  0.4106  1
  O  O53  1  0.3121  0.9844  0.8869  1
  O  O54  1  0.3217  0.4220  0.8054  1
  O  O55  1  0.3255  0.4095  0.5220  1
  O  O56  1  0.3845  0.8054  0.9804  1
  O  O57  1  0.3883  0.0856  0.4072  1
  O  O58  1  0.3936  0.3202  0.0111  1
  O  O59  1  0.4067  0.5782  0.3780  1
  O  O60  1  0.4173  0.3275  0.3031  1
  O  O61  1  0.4244  0.6036  0.1118  1
  O  O62  1  0.4685  0.0816  0.6729  1
  O  O63  1  0.4856  0.8882  0.8137  1
  O  O64  1  0.5046  0.8917  0.3218  1
  O  O65  1  0.5262  0.1114  0.2003  1
  O  O66  1  0.5771  0.4019  0.8896  1
  O  O67  1  0.5855  0.6721  0.9648  1
  O  O68  1  0.5875  0.6715  0.6995  1
  O  O69  1  0.5945  0.4229  0.6127  1
  O  O70  1  0.6174  0.2016  0.0311  1
  O  O71  1  0.6228  0.9326  0.6041  1
  O  O72  1  0.6666  0.5655  0.1917  1
  O  O73  1  0.6763  0.5939  0.4771  1
  O  O74  1  0.6901  0.1684  0.5636  1
  O  O75  1  0.6999  0.0222  0.1157  1
  O  O76  1  0.8038  0.3825  0.4845  1
  O  O77  1  0.8048  0.9275  0.3301  1
  O  O78  1  0.8202  0.0115  0.8963  1
  O  O79  1  0.8365  0.2992  0.9227  1
  O  O80  1  0.8775  0.9053  0.5764  1
  O  O81  1  0.8823  0.4811  0.3049  1
  O  O82  1  0.9005  0.8865  0.0756  1
  O  O83  1  0.9150  0.7973  0.8289  1
  O  O84  1  0.9163  0.5318  0.8276  1
  O  O85  1  0.9183  0.6088  0.0906  1
  O  O86  1  0.9835  0.3065  0.3856  1
  O  O87  1  0.9852  0.1773  0.5986  1
]