data_KFeO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   6.0
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KFeO2
_chemical_formula_sum   'K2 Fe2 O4'
_cell_volume   153.04
_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
  K  K2  1  0.0  0.0  0.0  1.0
  K  K3  1  0.12  0.12  0.12  1.0
  Fe  Fe0  1  0.37  0.37  0.37  1.0
  Fe  Fe1  1  0.25  0.25  0.25  1.0
  O  O4  1  0.31  0.18  0.18  1.0
  O  O5  1  0.31  0.31  0.31  1.0
  O  O6  1  0.18  0.31  0.18  1.0
  O  O7  1  0.18  0.18  0.31  1.0

data_KFeO2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   14.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KFeO2
_chemical_formula_sum   'K6 Fe6 O12'
_cell_volume   459.12
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  K  K0  3  0.0  0.0  0.0  1.0
  K  K1  3  0.0  0.0  0.88  1.0
  Fe  Fe2  3  0.0  0.0  0.63  1.0
  Fe  Fe3  3  0.0  0.0  0.75  1.0
  O  O4  9  0.04  0.08  0.77  1.0
  O  O5  3  0.0  0.0  0.69  1.0

K K Fe Fe O O O O
K K Fe Fe O O O O 0 1 o o o 1 7 o o o 1 6 o o o 1 4 o o o 1 3 o o o 2 5 o o o 3 7 o o o 3 6 o o o 3 4 o o o 3 5 o o o 