# generated using pymatgen
data_Fe3(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.59246763
_cell_length_b   6.64219493
_cell_length_c   3.02698500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   71.74808996
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3(O2F)2
_chemical_formula_sum   'Fe6 O8 F4'
_cell_volume   202.25547886
_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  0.01510200  0.99250500  0.00000000  1.0
  Fe  Fe1  1  0.01222600  0.49392400  0.50000000  1.0
  Fe  Fe2  1  0.33323500  0.33340500  0.00000000  1.0
  Fe  Fe3  1  0.65567600  0.17211600  0.50000000  1.0
  Fe  Fe4  1  0.33200000  0.83402500  0.50000000  1.0
  Fe  Fe5  1  0.65036300  0.67473000  0.00000000  1.0
  O  O6  1  0.00415900  0.30514000  0.00000000  1.0
  O  O7  1  0.00432400  0.69069900  0.00000000  1.0
  O  O8  1  0.21401900  0.39286400  0.50000000  1.0
  O  O9  1  0.45570700  0.27229000  0.50000000  1.0
  O  O10  1  0.14146800  0.92949300  0.50000000  1.0
  O  O11  1  0.66181800  0.36111600  0.00000000  1.0
  O  O12  1  0.52676100  0.73642800  0.50000000  1.0
  O  O13  1  0.66163500  0.97707700  0.00000000  1.0
  F  F14  1  0.33446000  0.02621900  0.00000000  1.0
  F  F15  1  0.33413400  0.63949900  0.00000000  1.0
  F  F16  1  0.87269300  0.06351700  0.50000000  1.0
  F  F17  1  0.79021800  0.60495300  0.50000000  1.0