# generated using pymatgen
data_Fe3(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62529770
_cell_length_b   5.62529770
_cell_length_c   7.51987324
_cell_angle_alpha   69.64746106
_cell_angle_beta   69.64746106
_cell_angle_gamma   69.38085308
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3(O2F)2
_chemical_formula_sum   'Fe6 O8 F4'
_cell_volume   201.81059218
_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  0.83521500  0.83521500  0.67133800  1.0
  Fe  Fe1  1  0.50000000  0.50000000  0.50000000  1.0
  Fe  Fe2  1  0.81534800  0.81534800  0.16229900  1.0
  Fe  Fe3  1  0.50000000  0.50000000  0.00000000  1.0
  Fe  Fe4  1  0.16478500  0.16478500  0.32866200  1.0
  Fe  Fe5  1  0.18465200  0.18465200  0.83770100  1.0
  O  O6  1  0.80696700  0.19303300  0.50000000  1.0
  O  O7  1  0.13329400  0.52403400  0.16261600  1.0
  O  O8  1  0.40578800  0.40578800  0.78355700  1.0
  O  O9  1  0.59421200  0.59421200  0.21644300  1.0
  O  O10  1  0.52403400  0.13329400  0.16261600  1.0
  O  O11  1  0.19303300  0.80696700  0.50000000  1.0
  O  O12  1  0.86670600  0.47596600  0.83738400  1.0
  O  O13  1  0.47596600  0.86670600  0.83738400  1.0
  F  F14  1  0.05495200  0.05495200  0.13296100  1.0
  F  F15  1  0.73489400  0.73489400  0.46383900  1.0
  F  F16  1  0.94504800  0.94504800  0.86703900  1.0
  F  F17  1  0.26510600  0.26510600  0.53616100  1.0