data_Li2FeO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   5.26
_cell_angle_alpha   91.3
_cell_angle_beta   91.3
_cell_angle_gamma   58.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeO2
_chemical_formula_sum   'Li2 Fe1 O2'
_cell_volume   46.26
_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  0.66  0.0  0.34  1.0
  Li  Li1  1  0.83  0.0  0.92  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  O  O3  1  0.67  0.0  0.27  1.0
  O  O4  1  0.82  0.0  0.98  1.0

data_Li2FeO2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.22
_cell_length_b   5.47
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   91.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2FeO2
_chemical_formula_sum   'Li4 Fe2 O4'
_cell_volume   92.57
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.17  0.0  0.08  1.0
  Li  Li1  2  0.34  0.0  0.66  1.0
  Fe  Fe2  2  0.0  0.0  0.0  1.0
  O  O3  2  0.18  0.0  0.02  1.0
  O  O4  2  0.33  0.0  0.73  1.0

Li Li Fe O O
Li Li Fe O O 0 3 o o o 1 4 o o o 1 2 + o + 2 4 - o - 