# generated using pymatgen
data_Fe4O5F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03747200
_cell_length_b   6.42403900
_cell_length_c   7.03611200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4O5F3
_chemical_formula_sum   'Fe8 O10 F6'
_cell_volume   272.89529144
_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  0.76288900  0.00000000  0.73979600  1.0
  Fe  Fe1  1  0.23711100  0.00000000  0.73979600  1.0
  Fe  Fe2  1  0.50000000  0.50000000  0.72487200  1.0
  Fe  Fe3  1  0.00000000  0.50000000  0.76183300  1.0
  Fe  Fe4  1  0.50000000  0.00000000  0.23816700  1.0
  Fe  Fe5  1  0.00000000  0.00000000  0.27512800  1.0
  Fe  Fe6  1  0.26288900  0.50000000  0.26020400  1.0
  Fe  Fe7  1  0.73711100  0.50000000  0.26020400  1.0
  O  O8  1  0.00000000  0.00000000  0.55796500  1.0
  O  O9  1  0.75977600  0.69308500  0.75387900  1.0
  O  O10  1  0.24022400  0.69308500  0.75387900  1.0
  O  O11  1  0.74022400  0.80691500  0.24612100  1.0
  O  O12  1  0.25977600  0.80691500  0.24612100  1.0
  O  O13  1  0.75977600  0.30691500  0.75387900  1.0
  O  O14  1  0.24022400  0.30691500  0.75387900  1.0
  O  O15  1  0.50000000  0.50000000  0.44203500  1.0
  O  O16  1  0.74022400  0.19308500  0.24612100  1.0
  O  O17  1  0.25977600  0.19308500  0.24612100  1.0
  F  F18  1  0.50000000  0.00000000  0.56022700  1.0
  F  F19  1  0.50000000  0.00000000  0.92961700  1.0
  F  F20  1  0.00000000  0.00000000  0.94647500  1.0
  F  F21  1  0.00000000  0.50000000  0.43977300  1.0
  F  F22  1  0.00000000  0.50000000  0.07038300  1.0
  F  F23  1  0.50000000  0.50000000  0.05352500  1.0