# generated using pymatgen
data_Fe5(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67591400
_cell_length_b   7.60658700
_cell_length_c   9.79893378
_cell_angle_alpha   70.16425894
_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   327.84769650
_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  0.53208500  0.14774800  0.54829000  1.0
  Fe  Fe1  1  0.47996100  0.35892700  0.94172400  1.0
  Fe  Fe2  1  0.49286600  0.53869000  0.35107700  1.0
  Fe  Fe3  1  0.51985100  0.75087700  0.74367400  1.0
  Fe  Fe4  1  0.46932200  0.94147800  0.13845000  1.0
  Fe  Fe5  1  0.03208500  0.85225200  0.45171000  1.0
  Fe  Fe6  1  0.01985100  0.24912300  0.25632600  1.0
  Fe  Fe7  1  0.97996100  0.64107300  0.05827600  1.0
  Fe  Fe8  1  0.96932200  0.05852200  0.86155000  1.0
  Fe  Fe9  1  0.99286600  0.46131000  0.64892300  1.0
  O  O10  1  0.81851500  0.70502100  0.61463800  1.0
  O  O11  1  0.80324200  0.47393200  0.23585100  1.0
  O  O12  1  0.79417400  0.88111300  0.03162900  1.0
  O  O13  1  0.82849100  0.08203500  0.42442400  1.0
  O  O14  1  0.79804300  0.30094000  0.82540000  1.0
  O  O15  1  0.69975500  0.38352200  0.53105600  1.0
  O  O16  1  0.69415400  0.99206300  0.72932600  1.0
  O  O17  1  0.68470200  0.59408500  0.92301500  1.0
  O  O18  1  0.31851500  0.29497900  0.38536200  1.0
  O  O19  1  0.29804300  0.69906000  0.17460000  1.0
  O  O20  1  0.29417400  0.11888700  0.96837100  1.0
  O  O21  1  0.30324200  0.52606800  0.76414900  1.0
  O  O22  1  0.32849100  0.91796500  0.57557600  1.0
  O  O23  1  0.19415400  0.00793700  0.27067400  1.0
  O  O24  1  0.18470200  0.40591500  0.07698500  1.0
  O  O25  1  0.19975500  0.61647800  0.46894400  1.0
  F  F26  1  0.69697200  0.78776800  0.32374700  1.0
  F  F27  1  0.68786600  0.18565200  0.12835700  1.0
  F  F28  1  0.19697200  0.21223200  0.67625300  1.0
  F  F29  1  0.18786600  0.81434800  0.87164300  1.0