data_[Li4Al2Fe2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.2755]
_cell_length_b [5.5506]
_cell_length_c [5.0322]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Li2AlFeO4]
_chemical_formula_sum '[Li4 Al2 Fe2 O8]'
_cell_volume [175.2874]
_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
[
  Li  Li0  4  0.2498  0.6662  0.4930  1.0
  Al  Al1  2  0.0000  0.1672  0.4990  1.0
  Fe  Fe2  2  0.0000  0.8347  0.9962  1.0
  O  O3  4  0.2380  0.3182  0.3946  1.0
  O  O4  2  0.0000  0.1534  0.8544  1.0
  O  O5  2  0.0000  0.8642  0.3753  1.0
]