# generated using pymatgen
data_Fe4O5F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.70511600
_cell_length_b   5.60986154
_cell_length_c   10.29555725
_cell_angle_alpha   96.26088105
_cell_angle_beta   90.54014523
_cell_angle_gamma   91.79818102
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4O5F3
_chemical_formula_sum   'Fe8 O10 F6'
_cell_volume   269.97531282
_cell_formula_units_Z   2
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  0.50000000  0.50000000  0.50000000  1.0
  Fe  Fe1  1  0.50000000  0.00000000  0.00000000  1.0
  Fe  Fe2  1  0.47259300  0.25182100  0.75957500  1.0
  Fe  Fe3  1  0.52740700  0.74817900  0.24042500  1.0
  Fe  Fe4  1  0.00000000  0.50000000  0.00000000  1.0
  Fe  Fe5  1  0.94427700  0.26167400  0.25616500  1.0
  Fe  Fe6  1  0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe7  1  0.05572300  0.73832600  0.74383500  1.0
  O  O8  1  0.81186100  0.52301100  0.16630600  1.0
  O  O9  1  0.79725700  0.27100600  0.42968600  1.0
  O  O10  1  0.69618400  0.27325100  0.92826600  1.0
  O  O11  1  0.68739900  0.02364000  0.16782700  1.0
  O  O12  1  0.69387300  0.76345400  0.41867800  1.0
  O  O13  1  0.31260100  0.97636000  0.83217300  1.0
  O  O14  1  0.30381600  0.72674900  0.07173400  1.0
  O  O15  1  0.30612700  0.23654600  0.58132200  1.0
  O  O16  1  0.20274300  0.72899400  0.57031400  1.0
  O  O17  1  0.18813900  0.47698900  0.83369400  1.0
  F  F18  1  0.80837200  0.01420400  0.67797800  1.0
  F  F19  1  0.80819500  0.77510100  0.91796300  1.0
  F  F20  1  0.70276000  0.52778000  0.68192200  1.0
  F  F21  1  0.29724000  0.47222000  0.31807800  1.0
  F  F22  1  0.19180500  0.22489900  0.08203700  1.0
  F  F23  1  0.19162800  0.98579600  0.32202200  1.0