# generated using pymatgen
data_FeOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.20021082
_cell_length_b   5.95984038
_cell_length_c   5.19421182
_cell_angle_alpha   67.13520294
_cell_angle_beta   62.33808761
_cell_angle_gamma   50.52670945
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeOF
_chemical_formula_sum   'Fe4 O4 F4'
_cell_volume   129.99556788
_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  0.20235500  0.79764500  0.20235500  1.0
  Fe  Fe1  1  0.45235500  0.04764500  0.45235500  1.0
  Fe  Fe2  1  0.79764500  0.20235500  0.79764500  1.0
  Fe  Fe3  1  0.04764500  0.45235500  0.04764500  1.0
  O  O4  1  0.86435800  0.86435800  0.13564200  1.0
  O  O5  1  0.13564200  0.13564200  0.86435800  1.0
  O  O6  1  0.11435800  0.11435800  0.38564200  1.0
  O  O7  1  0.38564200  0.38564200  0.11435800  1.0
  F  F8  1  0.12500000  0.62500000  0.62500000  1.0
  F  F9  1  0.62500000  0.62500000  0.62500000  1.0
  F  F10  1  0.62500000  0.12500000  0.62500000  1.0
  F  F11  1  0.62500000  0.62500000  0.12500000  1.0