# generated using pymatgen
data_FeOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14268700
_cell_length_b   9.63839200
_cell_length_c   14.39802151
_cell_angle_alpha   89.84379562
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeOF
_chemical_formula_sum   'Fe12 O12 F12'
_cell_volume   436.12091885
_cell_formula_units_Z   12
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  0.99992600  0.99918400  1.0
  Fe  Fe1  1  0.00000000  0.98674800  0.32626200  1.0
  Fe  Fe2  1  0.00000000  0.99367900  0.67166200  1.0
  Fe  Fe3  1  0.50000000  0.77385800  0.15832900  1.0
  Fe  Fe4  1  0.50000000  0.72340000  0.50342400  1.0
  Fe  Fe5  1  0.50000000  0.77540800  0.83523900  1.0
  Fe  Fe6  1  0.00000000  0.50204300  0.34100500  1.0
  Fe  Fe7  1  0.00000000  0.48291300  0.99793000  1.0
  Fe  Fe8  1  0.00000000  0.49346600  0.65999600  1.0
  Fe  Fe9  1  0.50000000  0.24947700  0.14808300  1.0
  Fe  Fe10  1  0.50000000  0.27047700  0.49821700  1.0
  Fe  Fe11  1  0.50000000  0.24266500  0.85258200  1.0
  O  O12  1  0.50000000  0.90090800  0.27091000  1.0
  O  O13  1  0.50000000  0.90555200  0.93709200  1.0
  O  O14  1  0.00000000  0.85207000  0.09986400  1.0
  O  O15  1  0.00000000  0.84910400  0.76880100  1.0
  O  O16  1  0.00000000  0.65391400  0.57023100  1.0
  O  O17  1  0.50000000  0.59980500  0.39438000  1.0
  O  O18  1  0.50000000  0.40769900  0.93400200  1.0
  O  O19  1  0.50000000  0.39870700  0.60482200  1.0
  O  O20  1  0.00000000  0.34838400  0.10233600  1.0
  O  O21  1  0.00000000  0.34277100  0.43192800  1.0
  O  O22  1  0.00000000  0.14827700  0.89961000  1.0
  O  O23  1  0.50000000  0.09469400  0.06308400  1.0
  F  F24  1  0.50000000  0.90546400  0.59418900  1.0
  F  F25  1  0.00000000  0.85102600  0.43867600  1.0
  F  F26  1  0.00000000  0.65113300  0.22552200  1.0
  F  F27  1  0.00000000  0.65616400  0.90128500  1.0
  F  F28  1  0.50000000  0.60202500  0.06462700  1.0
  F  F29  1  0.50000000  0.59274000  0.73707600  1.0
  F  F30  1  0.50000000  0.40108700  0.26647600  1.0
  F  F31  1  0.00000000  0.34375300  0.77120600  1.0
  F  F32  1  0.00000000  0.15311500  0.23571100  1.0
  F  F33  1  0.00000000  0.14655300  0.56535500  1.0
  F  F34  1  0.50000000  0.09221500  0.40100300  1.0
  F  F35  1  0.50000000  0.10877700  0.72990200  1.0