data_Fe(HO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   4.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe(HO)2
_chemical_formula_sum   'Fe1 H2 O2'
_cell_volume   44.47
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  H  H1  1  0.0  0.91  0.67  1.0
  H  H2  1  0.66  0.96  0.0  1.0
  O  O3  1  0.0  0.91  0.65  1.0
  O  O4  1  0.66  0.96  0.03  1.0

data_Fe(HO)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   4.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe(HO)2
_chemical_formula_sum   'Fe1 H2 O2'
_cell_volume   44.47
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  H  H1  1  0.0  0.91  0.67  1.0
  H  H2  1  0.66  0.96  0.0  1.0
  O  O3  1  0.0  0.91  0.65  1.0
  O  O4  1  0.66  0.96  0.03  1.0

Fe H H O O
Fe H H O O 0 4 - - o 0 2 - - o 1 3 o o o 2 4 o o o 