# generated using pymatgen
data_Fe5(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64049400
_cell_length_b   5.53717647
_cell_length_c   12.95468407
_cell_angle_alpha   77.97661104
_cell_angle_beta   89.84496351
_cell_angle_gamma   89.69109542
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5(O4F)2
_chemical_formula_sum   'Fe10 O16 F4'
_cell_volume   325.56611665
_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  0.51648200  0.11296900  0.59514500  1.0
  Fe  Fe1  1  0.50000000  0.50000000  0.00000000  1.0
  Fe  Fe2  1  0.47861200  0.30717900  0.79104000  1.0
  Fe  Fe3  1  0.52138800  0.69282100  0.20896000  1.0
  Fe  Fe4  1  0.48351800  0.88703100  0.40485500  1.0
  Fe  Fe5  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe6  1  0.01691100  0.40978100  0.39968600  1.0
  Fe  Fe7  1  0.98665400  0.79629200  0.80549200  1.0
  Fe  Fe8  1  0.01334600  0.20370800  0.19450800  1.0
  Fe  Fe9  1  0.98308900  0.59021900  0.60031400  1.0
  O  O10  1  0.18752400  0.05154300  0.86446700  1.0
  O  O11  1  0.18968000  0.65683900  0.46682200  1.0
  O  O12  1  0.19242800  0.45276800  0.26158700  1.0
  O  O13  1  0.20171400  0.25271300  0.05533000  1.0
  O  O14  1  0.30034800  0.35506400  0.65422400  1.0
  O  O15  1  0.30944400  0.95247800  0.26616600  1.0
  O  O16  1  0.31020500  0.15309400  0.46068500  1.0
  O  O17  1  0.30765900  0.55654200  0.86118500  1.0
  O  O18  1  0.69965200  0.64493600  0.34577600  1.0
  O  O19  1  0.69055600  0.04752200  0.73383400  1.0
  O  O20  1  0.68979500  0.84690600  0.53931500  1.0
  O  O21  1  0.69234100  0.44345800  0.13881500  1.0
  O  O22  1  0.80757200  0.54723200  0.73841300  1.0
  O  O23  1  0.81032000  0.34316100  0.53317800  1.0
  O  O24  1  0.81247600  0.94845700  0.13553300  1.0
  O  O25  1  0.79828600  0.74728700  0.94467000  1.0
  F  F26  1  0.19611300  0.85865400  0.66030000  1.0
  F  F27  1  0.30387400  0.75504500  0.06551000  1.0
  F  F28  1  0.69612600  0.24495500  0.93449000  1.0
  F  F29  1  0.80388700  0.14134600  0.33970000  1.0