# generated using pymatgen
data_Fe2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69800788
_cell_length_b   4.69800788
_cell_length_c   15.03249100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.27848968
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2O3F
_chemical_formula_sum   'Fe10 O15 F5'
_cell_volume   330.86167039
_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  0.99728900  0.00271100  0.60059500  1.0
  Fe  Fe1  1  0.99728900  0.00271100  0.39940500  1.0
  Fe  Fe2  1  0.98503000  0.01497000  0.19922100  1.0
  Fe  Fe3  1  0.98332000  0.01668000  0.00000000  1.0
  Fe  Fe4  1  0.98503000  0.01497000  0.80077900  1.0
  Fe  Fe5  1  0.46331100  0.53668900  0.50000000  1.0
  Fe  Fe6  1  0.52036600  0.47963400  0.09968900  1.0
  Fe  Fe7  1  0.52598900  0.47401100  0.29986200  1.0
  Fe  Fe8  1  0.52036600  0.47963400  0.90031100  1.0
  Fe  Fe9  1  0.52598900  0.47401100  0.70013800  1.0
  O  O10  1  0.81550500  0.18449500  0.30202600  1.0
  O  O11  1  0.80979000  0.19021000  0.09997400  1.0
  O  O12  1  0.80979000  0.19021000  0.90002600  1.0
  O  O13  1  0.81550500  0.18449500  0.69797400  1.0
  O  O14  1  0.30166400  0.31176000  0.60091700  1.0
  O  O15  1  0.30166400  0.31176000  0.39908300  1.0
  O  O16  1  0.31250500  0.30203900  0.19923700  1.0
  O  O17  1  0.30822700  0.30704500  0.00000000  1.0
  O  O18  1  0.31250500  0.30203900  0.80076300  1.0
  O  O19  1  0.68824000  0.69833600  0.60091700  1.0
  O  O20  1  0.68824000  0.69833600  0.39908300  1.0
  O  O21  1  0.69796100  0.68749500  0.19923700  1.0
  O  O22  1  0.69295500  0.69177300  0.00000000  1.0
  O  O23  1  0.69796100  0.68749500  0.80076300  1.0
  O  O24  1  0.17324800  0.82675300  0.50000000  1.0
  F  F25  1  0.79548500  0.20451500  0.50000000  1.0
  F  F26  1  0.19174400  0.80825600  0.09889100  1.0
  F  F27  1  0.19564600  0.80435400  0.29687600  1.0
  F  F28  1  0.19564600  0.80435400  0.70312400  1.0
  F  F29  1  0.19174400  0.80825600  0.90110900  1.0