# generated using pymatgen
data_Fe4O5F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.92342509
_cell_length_b   9.92342509
_cell_length_c   4.73253315
_cell_angle_alpha   88.41067940
_cell_angle_beta   88.41067940
_cell_angle_gamma   35.76356812
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4O5F3
_chemical_formula_sum   'Fe8 O10 F6'
_cell_volume   272.25360990
_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  0.00000000  0.50000000  0.00000000  1.0
  Fe  Fe1  1  0.74478600  0.25521400  0.00000000  1.0
  Fe  Fe2  1  0.25521400  0.74478600  0.00000000  1.0
  Fe  Fe3  1  0.50000000  0.00000000  0.00000000  1.0
  Fe  Fe4  1  0.63433400  0.63433400  0.52850200  1.0
  Fe  Fe5  1  0.36566600  0.36566600  0.47149800  1.0
  Fe  Fe6  1  0.12744400  0.12744400  0.56575300  1.0
  Fe  Fe7  1  0.87255600  0.87255600  0.43424700  1.0
  O  O8  1  0.07450400  0.57317600  0.28418400  1.0
  O  O9  1  0.57317600  0.07450400  0.28418400  1.0
  O  O10  1  0.70416800  0.70416800  0.19728200  1.0
  O  O11  1  0.95248600  0.95248600  0.17528500  1.0
  O  O12  1  0.45035900  0.45035900  0.18213500  1.0
  O  O13  1  0.04751400  0.04751400  0.82471500  1.0
  O  O14  1  0.54964100  0.54964100  0.81786500  1.0
  O  O15  1  0.29583200  0.29583200  0.80271800  1.0
  O  O16  1  0.42682400  0.92549600  0.71581600  1.0
  O  O17  1  0.92549600  0.42682400  0.71581600  1.0
  F  F18  1  0.82950700  0.32703400  0.32794900  1.0
  F  F19  1  0.32703400  0.82950700  0.32794900  1.0
  F  F20  1  0.19680300  0.19680300  0.21297100  1.0
  F  F21  1  0.80319700  0.80319700  0.78702900  1.0
  F  F22  1  0.67296600  0.17049300  0.67205100  1.0
  F  F23  1  0.17049300  0.67296600  0.67205100  1.0