# generated using pymatgen
data_Fe4O5F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74351000
_cell_length_b   6.06040167
_cell_length_c   9.47395862
_cell_angle_alpha   89.79650690
_cell_angle_beta   85.82527827
_cell_angle_gamma   89.76571674
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4O5F3
_chemical_formula_sum   'Fe8 O10 F6'
_cell_volume   271.62699068
_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  0.00193000  0.99999600  0.99559100  1.0
  Fe  Fe1  1  0.97588600  0.50110100  0.00877000  1.0
  Fe  Fe2  1  0.01883000  0.99218800  0.50493100  1.0
  Fe  Fe3  1  0.00739800  0.50722500  0.50887700  1.0
  Fe  Fe4  1  0.55365700  0.24009300  0.76369100  1.0
  Fe  Fe5  1  0.48645000  0.75760600  0.72930100  1.0
  Fe  Fe6  1  0.50218800  0.25043000  0.25426600  1.0
  Fe  Fe7  1  0.45591100  0.75265700  0.23323800  1.0
  O  O8  1  0.19934900  0.74801800  0.59170500  1.0
  O  O9  1  0.16781600  0.75242500  0.08966000  1.0
  O  O10  1  0.30654300  0.00027900  0.84795900  1.0
  O  O11  1  0.30778900  0.00808800  0.34485800  1.0
  O  O12  1  0.30216600  0.49275800  0.34668800  1.0
  O  O13  1  0.70910800  0.00152200  0.64930000  1.0
  O  O14  1  0.69780800  0.49616200  0.65574300  1.0
  O  O15  1  0.68890700  0.00541000  0.15073100  1.0
  O  O16  1  0.67911900  0.49634200  0.15680000  1.0
  O  O17  1  0.82224200  0.24862300  0.91095100  1.0
  F  F18  1  0.19996800  0.25034900  0.59837300  1.0
  F  F19  1  0.19616500  0.25410300  0.09874000  1.0
  F  F20  1  0.30018500  0.49911200  0.85126100  1.0
  F  F21  1  0.81214100  0.75082700  0.40220800  1.0
  F  F22  1  0.79316100  0.74457300  0.89952100  1.0
  F  F23  1  0.81528700  0.25011700  0.40683900  1.0