# generated using pymatgen
data_Fe5(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59761100
_cell_length_b   7.64973775
_cell_length_c   9.69365791
_cell_angle_alpha   108.54114102
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5(O4F)2
_chemical_formula_sum   'Fe10 O16 F4'
_cell_volume   323.23514676
_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  0.51853300  0.31066400  0.90804100  1.0
  Fe  Fe1  1  0.48146700  0.08933600  0.29195900  1.0
  Fe  Fe2  1  0.51984100  0.89008100  0.70310700  1.0
  Fe  Fe3  1  0.50000000  0.70000000  0.10000000  1.0
  Fe  Fe4  1  0.48015900  0.50991900  0.49689300  1.0
  Fe  Fe5  1  0.01853300  0.58933600  0.79195900  1.0
  Fe  Fe6  1  0.00000000  0.20000000  0.60000000  1.0
  Fe  Fe7  1  0.98146700  0.81066400  0.40804100  1.0
  Fe  Fe8  1  0.98015900  0.39008100  0.20310700  1.0
  Fe  Fe9  1  0.01984100  0.00991900  0.99689300  1.0
  O  O10  1  0.80047200  0.96510700  0.58426900  1.0
  O  O11  1  0.80030400  0.56477500  0.37838200  1.0
  O  O12  1  0.80774000  0.36315800  0.77757800  1.0
  O  O13  1  0.80075700  0.15228600  0.17507500  1.0
  O  O14  1  0.69969600  0.06477500  0.87838200  1.0
  O  O15  1  0.69924300  0.65228600  0.67507500  1.0
  O  O16  1  0.69952800  0.46510700  0.08426900  1.0
  O  O17  1  0.69226000  0.86315800  0.27757800  1.0
  O  O18  1  0.30075700  0.74771400  0.52492500  1.0
  O  O19  1  0.30030400  0.33522500  0.32161800  1.0
  O  O20  1  0.30047200  0.93489300  0.11573100  1.0
  O  O21  1  0.30773900  0.53684200  0.92242200  1.0
  O  O22  1  0.19952800  0.43489300  0.61573100  1.0
  O  O23  1  0.19226100  0.03684200  0.42242200  1.0
  O  O24  1  0.19969600  0.83522500  0.82161800  1.0
  O  O25  1  0.19924300  0.24771400  0.02492500  1.0
  F  F26  1  0.80807000  0.75889100  0.97512500  1.0
  F  F27  1  0.69193000  0.25889100  0.47512500  1.0
  F  F28  1  0.30807000  0.14110900  0.72487500  1.0
  F  F29  1  0.19193000  0.64110900  0.22487500  1.0