# generated using pymatgen
data_Fe4O5F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64000115
_cell_length_b   5.64000115
_cell_length_c   5.64000115
_cell_angle_alpha   115.25314260
_cell_angle_beta   110.75406743
_cell_angle_gamma   102.65172781
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4O5F3
_chemical_formula_sum   'Fe4 O5 F3'
_cell_volume   136.42354555
_cell_formula_units_Z   1
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  0.76125400  0.76125400  0.00000000  1.0
  Fe  Fe1  1  0.72190300  0.22190300  0.50000000  1.0
  Fe  Fe2  1  0.25983500  0.51863000  0.25879600  1.0
  Fe  Fe3  1  0.25983500  0.00103900  0.74120400  1.0
  O  O4  1  0.43702600  0.93702600  0.50000000  1.0
  O  O5  1  0.94352900  0.49262000  0.93831700  1.0
  O  O6  1  0.94352900  0.00521300  0.45090900  1.0
  O  O7  1  0.55430300  0.49262000  0.54909100  1.0
  O  O8  1  0.55430300  0.00521300  0.06168300  1.0
  F  F9  1  0.44522300  0.44522300  0.00000000  1.0
  F  F10  1  0.05753900  0.55753900  0.50000000  1.0
  F  F11  1  0.06171900  0.06171900  0.00000000  1.0