# generated using pymatgen
data_FeOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.32644425
_cell_length_b   4.76804100
_cell_length_c   3.02463800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.54951372
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeOF
_chemical_formula_sum   'Fe6 O6 F6'
_cell_volume   206.60383335
_cell_formula_units_Z   6
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  0.00628400  0.00942200  0.00000000  1.0
  Fe  Fe1  1  0.17149600  0.43657900  0.50000000  1.0
  Fe  Fe2  1  0.34096600  0.01431400  0.00000000  1.0
  Fe  Fe3  1  0.48474900  0.50896500  0.50000000  1.0
  Fe  Fe4  1  0.67689400  0.00455700  0.00000000  1.0
  Fe  Fe5  1  0.81810800  0.50403100  0.50000000  1.0
  O  O6  1  0.10368400  0.28342100  0.00000000  1.0
  O  O7  1  0.27393400  0.17579000  0.50000000  1.0
  O  O8  1  0.39694000  0.81573200  0.50000000  1.0
  O  O9  1  0.43563500  0.32926200  0.00000000  1.0
  O  O10  1  0.73061600  0.81623500  0.50000000  1.0
  O  O11  1  0.76744200  0.31384600  0.00000000  1.0
  F  F12  1  0.06611400  0.77952000  0.50000000  1.0
  F  F13  1  0.22986500  0.67789400  0.00000000  1.0
  F  F14  1  0.56375400  0.71429600  0.00000000  1.0
  F  F15  1  0.59874100  0.21117200  0.50000000  1.0
  F  F16  1  0.90327100  0.70428200  0.00000000  1.0
  F  F17  1  0.93150700  0.20068000  0.50000000  1.0