# generated using pymatgen
data_FeO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37531786
_cell_length_b   5.37531786
_cell_length_c   5.37531786
_cell_angle_alpha   137.90640020
_cell_angle_beta   137.90640020
_cell_angle_gamma   61.04638124
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeO2
_chemical_formula_sum   'Fe2 O4'
_cell_volume   69.02295608
_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
  Fe  Fe0  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe1  1  0.75000000  0.25000000  0.50000000  1.0
  O  O2  1  0.54230000  0.04230000  0.50000000  1.0
  O  O3  1  0.20770000  0.20770000  0.00000000  1.0
  O  O4  1  0.79230000  0.79230000  0.00000000  1.0
  O  O5  1  0.95770000  0.45770000  0.50000000  1.0