data_[Li13Fe2O12]
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 [P1]
_cell_length_a [5.5612]
_cell_length_b [5.6258]
_cell_length_c [7.9482]
_cell_angle_alpha [90.1614]
_cell_angle_beta [91.7447]
_cell_angle_gamma [90.2914]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li13(FeO6)2]
_chemical_formula_sum '[Li13 Fe2 O12]'
_cell_volume [248.5509]
_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  0.0003  0.7869  0.7174  1
  Li  Li1  1  0.0425  0.2228  0.2881  1
  Li  Li2  1  0.1297  0.3094  0.6057  1
  Li  Li3  1  0.1649  0.6226  0.1084  1
  Li  Li4  1  0.2822  0.8810  0.3901  1
  Li  Li5  1  0.3717  0.1872  0.8919  1
  Li  Li6  1  0.4823  0.3171  0.1984  1
  Li  Li7  1  0.4906  0.7123  0.7715  1
  Li  Li8  1  0.5830  0.8111  0.0813  1
  Li  Li9  1  0.6987  0.9866  0.3532  1
  Li  Li10  1  0.7010  0.1162  0.6358  1
  Li  Li11  1  0.8155  0.3914  0.8960  1
  Li  Li12  1  0.9258  0.6366  0.4090  1
  Fe  Fe13  1  0.5109  0.4966  0.4950  1
  Fe  Fe14  1  0.9887  0.0035  0.0036  1
  O  O15  1  0.1564  0.2861  0.0712  1
  O  O16  1  0.2178  0.6444  0.5580  1
  O  O17  1  0.2837  0.8524  0.9481  1
  O  O18  1  0.3461  0.2162  0.4168  1
  O  O19  1  0.4834  0.6445  0.2779  1
  O  O20  1  0.5205  0.3741  0.7193  1
  O  O21  1  0.6904  0.1458  0.0536  1
  O  O22  1  0.6913  0.7780  0.5621  1
  O  O23  1  0.7995  0.3210  0.4413  1
  O  O24  1  0.8281  0.7273  0.9273  1
  O  O25  1  0.9862  0.1299  0.7824  1
  O  O26  1  0.9972  0.8811  0.2332  1
]