data_[Li4Fe5O10]
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 [5.1654]
_cell_length_b [5.1719]
_cell_length_c [7.9070]
_cell_angle_alpha [70.9528]
_cell_angle_beta [71.3780]
_cell_angle_gamma [79.3697]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li4(FeO2)5]
_chemical_formula_sum '[Li4 Fe5 O10]'
_cell_volume [188.4566]
_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  0.2213  0.5019  0.5758  1.0
  Li  Li1  1  0.5065  0.0169  0.4920  1.0
  Li  Li2  1  0.6114  0.5057  0.7770  1.0
  Li  Li3  1  0.7838  0.5054  0.4040  1.0
  Fe  Fe4  1  0.0013  0.4956  0.0073  1.0
  Fe  Fe5  1  0.1060  0.9822  0.3107  1.0
  Fe  Fe6  1  0.3026  0.9952  0.8931  1.0
  Fe  Fe7  1  0.6843  0.0093  0.1126  1.0
  Fe  Fe8  1  0.8950  0.9993  0.6898  1.0
  O  O9  1  0.0367  0.7636  0.1392  1.0
  O  O10  1  0.1102  0.2161  0.4792  1.0
  O  O11  1  0.2244  0.7506  0.7690  1.0
  O  O12  1  0.3374  0.2245  0.0500  1.0
  O  O13  1  0.4559  0.7869  0.3409  1.0
  O  O14  1  0.5525  0.2257  0.6642  1.0
  O  O15  1  0.6771  0.7800  0.9277  1.0
  O  O16  1  0.7860  0.2449  0.2350  1.0
  O  O17  1  0.8671  0.7638  0.5455  1.0
  O  O18  1  0.9506  0.2427  0.8619  1.0
]