data_[K8Li13Fe4O16]
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 [5.6984]
_cell_length_b [8.8132]
_cell_length_c [10.9549]
_cell_angle_alpha [89.9157]
_cell_angle_beta [82.3582]
_cell_angle_gamma [86.9846]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [K8Li13(FeO4)4]
_chemical_formula_sum '[K8 Li13 Fe4 O16]'
_cell_volume [544.5127]
_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  0.1029  0.9970  0.1443  1
  K  K1  1  0.1422  0.2490  0.6066  1
  K  K2  1  0.3329  0.7527  0.8539  1
  K  K3  1  0.4219  0.4948  0.3421  1
  K  K4  1  0.6123  0.4407  0.6932  1
  K  K5  1  0.6253  0.2386  0.1154  1
  K  K6  1  0.8589  0.0597  0.8181  1
  K  K7  1  0.8714  0.7472  0.3529  1
  Li  Li8  1  0.0812  0.5217  0.8088  1
  Li  Li9  1  0.0996  0.2507  0.3041  1
  Li  Li10  1  0.1993  0.0039  0.4287  1
  Li  Li11  1  0.3262  0.5222  0.0714  1
  Li  Li12  1  0.4188  0.0165  0.7000  1
  Li  Li13  1  0.4242  0.7427  0.1898  1
  Li  Li14  1  0.5290  0.9516  0.9820  1
  Li  Li15  1  0.5710  0.9828  0.2975  1
  Li  Li16  1  0.6968  0.4974  0.9409  1
  Li  Li17  1  0.8068  0.9691  0.5595  1
  Li  Li18  1  0.8907  0.7529  0.7017  1
  Li  Li19  1  0.9369  0.4854  0.1648  1
  Li  Li20  1  0.9725  0.5259  0.5138  1
  Fe  Fe21  1  0.2005  0.2837  0.9433  1
  Fe  Fe22  1  0.3306  0.7743  0.5561  1
  Fe  Fe23  1  0.6801  0.2063  0.4426  1
  Fe  Fe24  1  0.8415  0.7268  0.0513  1
  O  O25  1  0.1168  0.6814  0.1424  1
  O  O26  1  0.1264  0.9418  0.6187  1
  O  O27  1  0.1348  0.3040  0.1209  1
  O  O28  1  0.1595  0.5951  0.6218  1
  O  O29  1  0.3381  0.0788  0.8945  1
  O  O30  1  0.3706  0.4607  0.8998  1
  O  O31  1  0.3730  0.8029  0.3831  1
  O  O32  1  0.3992  0.1818  0.3673  1
  O  O33  1  0.6143  0.8002  0.6236  1
  O  O34  1  0.6229  0.9172  0.1288  1
  O  O35  1  0.6236  0.1598  0.6120  1
  O  O36  1  0.6316  0.5481  0.1248  1
  O  O37  1  0.8309  0.7158  0.8738  1
  O  O38  1  0.8559  0.3902  0.4157  1
  O  O39  1  0.8890  0.0456  0.3745  1
  O  O40  1  0.9332  0.3384  0.8607  1
]