# generated using pymatgen
data_Fe3(OF4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36584342
_cell_length_b   5.36584342
_cell_length_c   7.46408556
_cell_angle_alpha   69.95357329
_cell_angle_beta   69.95357329
_cell_angle_gamma   88.57281775
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3(OF4)2
_chemical_formula_sum   'Fe3 O2 F8'
_cell_volume   188.60971074
_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  0.50000000  0.50000000  0.00000000  1.0
  Fe  Fe1  1  0.00000000  0.50000000  0.50000000  1.0
  Fe  Fe2  1  0.50000000  0.00000000  0.50000000  1.0
  O  O3  1  0.26513500  0.26513500  0.95959700  1.0
  O  O4  1  0.73486500  0.73486500  0.04040300  1.0
  F  F5  1  0.70064400  0.29935600  0.50000000  1.0
  F  F6  1  0.29935600  0.70064400  0.50000000  1.0
  F  F7  1  0.17265600  0.17265600  0.56629700  1.0
  F  F8  1  0.82734300  0.82734400  0.43370300  1.0
  F  F9  1  0.81346100  0.43468500  0.79096100  1.0
  F  F10  1  0.43468500  0.81346100  0.79096100  1.0
  F  F11  1  0.18653900  0.56531500  0.20903900  1.0
  F  F12  1  0.56531500  0.18653900  0.20903900  1.0