# generated using pymatgen
data_Fe5(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65275800
_cell_length_b   5.55023431
_cell_length_c   12.93419160
_cell_angle_alpha   102.08363715
_cell_angle_beta   90.69916258
_cell_angle_gamma   91.28154771
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5(O4F)2
_chemical_formula_sum   'Fe10 O16 F4'
_cell_volume   326.48016468
_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  0.48976300  0.49011100  0.00207400  1.0
  Fe  Fe1  1  0.51104200  0.89111700  0.59667000  1.0
  Fe  Fe2  1  0.48112100  0.69562200  0.79443800  1.0
  Fe  Fe3  1  0.51513600  0.08787200  0.39633000  1.0
  Fe  Fe4  1  0.52620900  0.28941900  0.19926600  1.0
  Fe  Fe5  1  0.97375000  0.41523700  0.60614500  1.0
  Fe  Fe6  1  0.00022300  0.80669900  0.19536900  1.0
  Fe  Fe7  1  0.98254300  0.20482900  0.80773700  1.0
  Fe  Fe8  1  0.98532500  0.61590300  0.40248400  1.0
  Fe  Fe9  1  0.01762700  0.00975700  0.00198700  1.0
  O  O10  1  0.80245900  0.45451700  0.74423800  1.0
  O  O11  1  0.81563800  0.05379300  0.13160800  1.0
  O  O12  1  0.81778500  0.85482000  0.33177300  1.0
  O  O13  1  0.80082500  0.25451200  0.94633100  1.0
  O  O14  1  0.80304700  0.65204400  0.53668200  1.0
  O  O15  1  0.69329800  0.15443900  0.53780200  1.0
  O  O16  1  0.69720200  0.35423000  0.33827600  1.0
  O  O17  1  0.69559800  0.55755500  0.14156400  1.0
  O  O18  1  0.69247400  0.95650300  0.73614100  1.0
  O  O19  1  0.29768900  0.64460800  0.65532600  1.0
  O  O20  1  0.31332200  0.04316100  0.25988200  1.0
  O  O21  1  0.30242500  0.44242600  0.86309900  1.0
  O  O22  1  0.31077700  0.24777900  0.07015000  1.0
  O  O23  1  0.30804500  0.84573200  0.45968000  1.0
  O  O24  1  0.18735800  0.94949000  0.86553300  1.0
  O  O25  1  0.19287300  0.74519300  0.05845500  1.0
  F  F26  1  0.69495600  0.75770600  0.93942100  1.0
  F  F27  1  0.19487400  0.34058500  0.45957500  1.0
  F  F28  1  0.19428700  0.14490000  0.66026100  1.0
  F  F29  1  0.20233300  0.53944400  0.26170400  1.0