data_Li2FeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.12
_cell_angle_alpha   99.7
_cell_angle_beta   99.7
_cell_angle_gamma   119.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeO3
_chemical_formula_sum   'Li4 Fe2 O6'
_cell_volume   107.29
_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  1  0.54  0.02  0.0  1.0
  Li  Li1  1  0.68  0.32  0.41  1.0
  Li  Li2  1  0.54  0.86  0.0  1.0
  Li  Li3  1  0.54  0.94  0.0  1.0
  Fe  Fe4  1  0.68  0.4  0.41  1.0
  Fe  Fe5  1  0.68  0.47  0.41  1.0
  O  O6  1  0.4  1.0  0.52  1.0
  O  O7  1  0.96  1.0  0.29  1.0
  O  O8  1  0.98  0.33  0.51  1.0
  O  O9  1  0.37  0.33  0.31  1.0
  O  O10  1  0.25  0.46  0.33  1.0
  O  O11  1  0.11  0.46  0.49  1.0

data_Li2FeO3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.12
_cell_angle_alpha   99.7
_cell_angle_beta   99.7
_cell_angle_gamma   119.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeO3
_chemical_formula_sum   'Li4 Fe2 O6'
_cell_volume   107.29
_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  1  0.54  0.02  0.0  1.0
  Li  Li1  1  0.54  0.86  0.0  1.0
  Li  Li2  1  0.54  0.94  0.0  1.0
  Li  Li3  1  0.68  0.32  0.41  1.0
  Fe  Fe4  1  0.68  0.4  0.41  1.0
  Fe  Fe5  1  0.68  0.47  0.41  1.0
  O  O6  1  0.11  0.46  0.49  1.0
  O  O7  1  0.25  0.46  0.33  1.0
  O  O8  1  0.37  0.33  0.31  1.0
  O  O9  1  0.4  1.0  0.52  1.0
  O  O10  1  0.96  1.0  0.29  1.0
  O  O11  1  0.98  0.33  0.51  1.0

Li Li Li Li Fe Fe O O O O O O
Li Li Li Li Fe Fe O O O O O O 0 3 o - o 0 6 o - - 1 4 o o o 1 6 o - o 2 3 o o o 2 7 o o o 3 6 o o - 3 7 o o o 4 5 o o o 4 6 o - o 5 6 o - o 5 9 o o o 6 11 o o o 6 9 o + o 6 7 - o o 6 10 o o o 7 11 + + o 7 8 o + o 7 10 + + o 7 9 + + o 8 11 + o o 9 10 o o o 10 11 o o o 