# generated using pymatgen
data_Fe2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.70036394
_cell_length_b   4.70036394
_cell_length_c   15.04797200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.33749869
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2O3F
_chemical_formula_sum   'Fe10 O15 F5'
_cell_volume   331.50896438
_cell_formula_units_Z   5
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  0.99947400  0.00052600  0.69991700  1.0
  Fe  Fe1  1  0.01222500  0.98777500  0.50000000  1.0
  Fe  Fe2  1  0.99947400  0.00052600  0.30008300  1.0
  Fe  Fe3  1  0.98534600  0.01465400  0.10016400  1.0
  Fe  Fe4  1  0.98534600  0.01465400  0.89983600  1.0
  Fe  Fe5  1  0.47076200  0.52923800  0.60013600  1.0
  Fe  Fe6  1  0.52645200  0.47354800  0.20085300  1.0
  Fe  Fe7  1  0.47076200  0.52923800  0.39986400  1.0
  Fe  Fe8  1  0.52294700  0.47705300  0.00000000  1.0
  Fe  Fe9  1  0.52645200  0.47354800  0.79914700  1.0
  O  O10  1  0.81986900  0.18013100  0.20316400  1.0
  O  O11  1  0.81276400  0.18723600  0.00000000  1.0
  O  O12  1  0.81986900  0.18013100  0.79683600  1.0
  O  O13  1  0.30625400  0.30803700  0.69996400  1.0
  O  O14  1  0.29534400  0.31577500  0.50000000  1.0
  O  O15  1  0.30625400  0.30803700  0.30003600  1.0
  O  O16  1  0.31387600  0.30246600  0.09991300  1.0
  O  O17  1  0.31387600  0.30246600  0.90008700  1.0
  O  O18  1  0.69196300  0.69374600  0.69996400  1.0
  O  O19  1  0.68422500  0.70465600  0.50000000  1.0
  O  O20  1  0.69196300  0.69374600  0.30003600  1.0
  O  O21  1  0.69753400  0.68612400  0.09991300  1.0
  O  O22  1  0.69753400  0.68612400  0.90008700  1.0
  O  O23  1  0.18012400  0.81987600  0.60304800  1.0
  O  O24  1  0.18012400  0.81987600  0.39695200  1.0
  F  F25  1  0.80050700  0.19949300  0.59787600  1.0
  F  F26  1  0.80050700  0.19949300  0.40212400  1.0
  F  F27  1  0.19630400  0.80369600  0.19841800  1.0
  F  F28  1  0.19630400  0.80369600  0.80158200  1.0
  F  F29  1  0.19556700  0.80443300  0.00000000  1.0