# generated using pymatgen
data_Fe2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69329930
_cell_length_b   4.69329930
_cell_length_c   15.00823500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.24957831
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2O3F
_chemical_formula_sum   'Fe10 O15 F5'
_cell_volume   329.67839383
_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  0.99780500  0.00219500  0.80009900  1.0
  Fe  Fe1  1  0.99967900  0.00032100  0.60006900  1.0
  Fe  Fe2  1  0.99967900  0.00032100  0.39993100  1.0
  Fe  Fe3  1  0.99780500  0.00219500  0.19990100  1.0
  Fe  Fe4  1  0.98728200  0.01271800  0.00000000  1.0
  Fe  Fe5  1  0.46578400  0.53421600  0.69986900  1.0
  Fe  Fe6  1  0.46578400  0.53421600  0.30013100  1.0
  Fe  Fe7  1  0.53259900  0.46740100  0.50000000  1.0
  Fe  Fe8  1  0.52708800  0.47291200  0.10033900  1.0
  Fe  Fe9  1  0.52708800  0.47291200  0.89966100  1.0
  O  O10  1  0.82187900  0.17812100  0.50000000  1.0
  O  O11  1  0.81702800  0.18297200  0.10255900  1.0
  O  O12  1  0.81702800  0.18297200  0.89744100  1.0
  O  O13  1  0.30235400  0.31126400  0.80039500  1.0
  O  O14  1  0.30686500  0.30729200  0.59987500  1.0
  O  O15  1  0.30686500  0.30729200  0.40012500  1.0
  O  O16  1  0.30235400  0.31126400  0.19960500  1.0
  O  O17  1  0.31697800  0.29726600  0.00000000  1.0
  O  O18  1  0.68873600  0.69764600  0.80039500  1.0
  O  O19  1  0.69270800  0.69313500  0.59987500  1.0
  O  O20  1  0.69270800  0.69313500  0.40012500  1.0
  O  O21  1  0.68873600  0.69764600  0.19960500  1.0
  O  O22  1  0.70273400  0.68302200  0.00000000  1.0
  O  O23  1  0.17568000  0.82432000  0.70081800  1.0
  O  O24  1  0.17568000  0.82432000  0.29918200  1.0
  F  F25  1  0.79693100  0.20306900  0.69974100  1.0
  F  F26  1  0.79693100  0.20306900  0.30025900  1.0
  F  F27  1  0.20122900  0.79877100  0.50000000  1.0
  F  F28  1  0.19799000  0.80201000  0.90164800  1.0
  F  F29  1  0.19799000  0.80201000  0.09835200  1.0