data_[K5Li3Ti8As8O40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Ti  1.5400  1.4000  0.8517
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.6987]
_cell_length_b [10.8973]
_cell_length_c [13.2204]
_cell_angle_alpha [89.9962]
_cell_angle_beta [89.7579]
_cell_angle_gamma [89.4472]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [K5Li3Ti8(AsO5)8]
_chemical_formula_sum '[K5 Li3 Ti8 As8 O40]'
_cell_volume [965.0018]
_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
[
  K  K0  1  0.2001  0.6855  0.3973  1
  K  K1  1  0.2929  0.6845  0.8717  1
  K  K2  1  0.2962  0.9220  0.1093  1
  K  K3  1  0.7181  0.1886  0.1164  1
  K  K4  1  0.7993  0.1837  0.6082  1
  Li  Li5  1  0.4428  0.9618  0.6051  1
  Li  Li6  1  0.5570  0.4600  0.3946  1
  Li  Li7  1  0.9423  0.4616  0.8947  1
  Ti  Ti8  1  0.0091  0.9912  0.8695  1
  Ti  Ti9  1  0.2257  0.2425  0.2559  1
  Ti  Ti10  1  0.2753  0.2423  0.7552  1
  Ti  Ti11  1  0.4860  0.9891  0.3692  1
  Ti  Ti12  1  0.5140  0.4888  0.6320  1
  Ti  Ti13  1  0.7335  0.7434  0.2453  1
  Ti  Ti14  1  0.7735  0.7421  0.7447  1
  Ti  Ti15  1  0.9907  0.4914  0.1298  1
  As  As16  1  0.0128  0.4827  0.6820  1
  As  As17  1  0.1730  0.2312  0.0014  1
  As  As18  1  0.3315  0.2331  0.5032  1
  As  As19  1  0.4894  0.4859  0.1828  1
  As  As20  1  0.5121  0.9839  0.8172  1
  As  As21  1  0.6676  0.7297  0.4980  1
  As  As22  1  0.8291  0.7336  0.9956  1
  As  As23  1  0.9844  0.9857  0.3202  1
  O  O24  1  0.0034  0.8457  0.9871  1
  O  O25  1  0.0104  0.3531  0.0065  1
  O  O26  1  0.0260  0.1096  0.2418  1
  O  O27  1  0.0356  0.0983  0.9943  1
  O  O28  1  0.0467  0.3584  0.2168  1
  O  O29  1  0.0547  0.3676  0.7712  1
  O  O30  1  0.0633  0.1094  0.7834  1
  O  O31  1  0.1746  0.2526  0.4017  1
  O  O32  1  0.1836  0.2258  0.6093  1
  O  O33  1  0.1914  0.9468  0.3896  1
  O  O34  1  0.2135  0.5162  0.6077  1
  O  O35  1  0.2893  0.5196  0.1078  1
  O  O36  1  0.3101  0.9455  0.8901  1
  O  O37  1  0.3175  0.2146  0.1081  1
  O  O38  1  0.3332  0.2467  0.8998  1
  O  O39  1  0.4363  0.1078  0.2826  1
  O  O40  1  0.4484  0.3674  0.2689  1
  O  O41  1  0.4588  0.0940  0.4996  1
  O  O42  1  0.4594  0.3555  0.7187  1
  O  O43  1  0.4666  0.1006  0.7310  1
  O  O44  1  0.4976  0.8474  0.4943  1
  O  O45  1  0.5026  0.3484  0.5069  1
  O  O46  1  0.5346  0.6035  0.2677  1
  O  O47  1  0.5387  0.5924  0.5015  1
  O  O48  1  0.5402  0.8574  0.2797  1
  O  O49  1  0.5506  0.8665  0.7295  1
  O  O50  1  0.5611  0.6101  0.7155  1
  O  O51  1  0.6709  0.7548  0.0981  1
  O  O52  1  0.6792  0.7246  0.8904  1
  O  O53  1  0.6952  0.4463  0.1124  1
  O  O54  1  0.7109  0.0160  0.8925  1
  O  O55  1  0.7825  0.0143  0.3962  1
  O  O56  1  0.8094  0.4436  0.6119  1
  O  O57  1  0.8139  0.7201  0.3916  1
  O  O58  1  0.8278  0.7460  0.5987  1
  O  O59  1  0.9384  0.6134  0.2136  1
  O  O60  1  0.9496  0.8651  0.2366  1
  O  O61  1  0.9563  0.8565  0.7804  1
  O  O62  1  0.9570  0.5942  0.9997  1
  O  O63  1  0.9637  0.6009  0.7672  1
]