# generated using pymatgen
data_Fe2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88297688
_cell_length_b   4.88297688
_cell_length_c   6.16995100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   91.77147112
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2OF3
_chemical_formula_sum   'Fe4 O2 F6'
_cell_volume   147.04269113
_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  0.96944900  0.96944900  0.75000000  1.0
  Fe  Fe1  1  0.03055100  0.03055100  0.25000000  1.0
  Fe  Fe2  1  0.50000000  0.50000000  0.00000000  1.0
  Fe  Fe3  1  0.50000000  0.50000000  0.50000000  1.0
  O  O4  1  0.33186300  0.33186300  0.25000000  1.0
  O  O5  1  0.66813700  0.66813700  0.75000000  1.0
  F  F6  1  0.79514500  0.20485500  0.00000000  1.0
  F  F7  1  0.79514500  0.20485500  0.50000000  1.0
  F  F8  1  0.29013400  0.29013400  0.75000000  1.0
  F  F9  1  0.70986600  0.70986600  0.25000000  1.0
  F  F10  1  0.20485500  0.79514500  0.50000000  1.0
  F  F11  1  0.20485500  0.79514500  0.00000000  1.0