data_[Li1Fe8O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Pm]
_cell_length_a [10.1424]
_cell_length_b [2.9692]
_cell_length_c [10.2285]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0726]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Li(FeO2)8]
_chemical_formula_sum '[Li1 Fe8 O16]'
_cell_volume [308.0276]
_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  0.5472  0.5000  0.3990  1
  Fe  Fe1  1  0.1528  0.0000  0.3661  1
  Fe  Fe2  1  0.1682  0.5000  0.6799  1
  Fe  Fe3  1  0.3341  0.0000  0.8802  1
  Fe  Fe4  1  0.3509  0.5000  0.1945  1
  Fe  Fe5  1  0.6510  0.5000  0.8630  1
  Fe  Fe6  1  0.6727  0.0000  0.1772  1
  Fe  Fe7  1  0.8348  0.5000  0.3822  1
  Fe  Fe8  1  0.8512  0.0000  0.6977  1
  O  O9  1  0.0446  0.0000  0.6924  1
  O  O10  1  0.1614  0.5000  0.2422  1
  O  O11  1  0.1686  0.5000  0.4887  1
  O  O12  1  0.2106  0.5000  0.8751  1
  O  O13  1  0.2933  0.0000  0.6846  1
  O  O14  1  0.3388  0.0000  0.0718  1
  O  O15  1  0.3612  0.0000  0.3247  1
  O  O16  1  0.4577  0.5000  0.8664  1
  O  O17  1  0.5458  0.5000  0.1974  1
  O  O18  1  0.6546  0.0000  0.7383  1
  O  O19  1  0.6637  0.0000  0.9868  1
  O  O20  1  0.6913  0.0000  0.3786  1
  O  O21  1  0.7948  0.5000  0.1870  1
  O  O22  1  0.8367  0.5000  0.5749  1
  O  O23  1  0.8478  0.5000  0.8205  1
  O  O24  1  0.9573  0.0000  0.3691  1
]