data_[K8Li10Fe4O16]
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
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6036]
_cell_length_b [8.9128]
_cell_length_c [10.8830]
_cell_angle_alpha [91.3274]
_cell_angle_beta [98.6596]
_cell_angle_gamma [90.3918]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [K4Li5(FeO4)2]
_chemical_formula_sum '[K8 Li10 Fe4 O16]'
_cell_volume [537.1735]
_cell_formula_units_Z [2]
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  0.0952  0.7418  0.3627  1
  K  K1  1  0.1734  0.9945  0.8753  1
  K  K2  1  0.3263  0.2595  0.1357  1
  K  K3  1  0.4216  0.5085  0.6505  1
  K  K4  1  0.5617  0.5367  0.3165  1
  K  K5  1  0.6783  0.7282  0.8688  1
  K  K6  1  0.7870  0.9641  0.1456  1
  K  K7  1  0.8841  0.2524  0.6573  1
  Li  Li8  1  0.0998  0.7540  0.6956  1
  Li  Li9  1  0.1970  0.9886  0.5709  1
  Li  Li10  1  0.2749  0.4841  0.9251  1
  Li  Li11  1  0.3785  0.9714  0.2949  1
  Li  Li12  1  0.4039  0.2440  0.8044  1
  Li  Li13  1  0.5925  0.0156  0.6990  1
  Li  Li14  1  0.7206  0.5084  0.0671  1
  Li  Li15  1  0.8014  0.0287  0.4321  1
  Li  Li16  1  0.9143  0.2539  0.3040  1
  Li  Li17  1  0.9537  0.4724  0.4927  1
  Fe  Fe18  1  0.2045  0.7184  0.0587  1
  Fe  Fe19  1  0.3367  0.2178  0.4503  1
  Fe  Fe20  1  0.6734  0.7974  0.5516  1
  Fe  Fe21  1  0.8128  0.2703  0.9442  1
  O  O22  1  0.1134  0.2835  0.8946  1
  O  O23  1  0.1224  0.0584  0.3810  1
  O  O24  1  0.1673  0.3984  0.4051  1
  O  O25  1  0.1809  0.7025  0.8823  1
  O  O26  1  0.2776  0.9139  0.1134  1
  O  O27  1  0.3755  0.1889  0.6266  1
  O  O28  1  0.3876  0.5543  0.0943  1
  O  O29  1  0.4024  0.8206  0.6376  1
  O  O30  1  0.5940  0.4169  0.8818  1
  O  O31  1  0.6144  0.8369  0.3813  1
  O  O32  1  0.6206  0.2081  0.3750  1
  O  O33  1  0.6690  0.0991  0.8671  1
  O  O34  1  0.8359  0.2980  0.1132  1
  O  O35  1  0.8467  0.6133  0.5879  1
  O  O36  1  0.8874  0.9524  0.6253  1
  O  O37  1  0.9268  0.6824  0.1179  1
]