# generated using pymatgen
data_FeOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07269200
_cell_length_b   4.79254200
_cell_length_c   9.58299305
_cell_angle_alpha   88.63558718
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeOF
_chemical_formula_sum   'Fe4 O4 F4'
_cell_volume   141.07919671
_cell_formula_units_Z   4
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  0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe2  1  0.50000000  0.42692600  0.24795900  1.0
  Fe  Fe3  1  0.50000000  0.57307400  0.75204100  1.0
  O  O4  1  0.50000000  0.81794100  0.90474700  1.0
  O  O5  1  0.00000000  0.71241800  0.64495300  1.0
  O  O6  1  0.00000000  0.28758200  0.35504700  1.0
  O  O7  1  0.50000000  0.18205900  0.09525300  1.0
  F  F8  1  0.50000000  0.80151300  0.40273900  1.0
  F  F9  1  0.00000000  0.67647800  0.16159300  1.0
  F  F10  1  0.00000000  0.32352200  0.83840700  1.0
  F  F11  1  0.50000000  0.19848700  0.59726100  1.0