# generated using pymatgen
data_Fe4O7F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61568214
_cell_length_b   4.61568214
_cell_length_c   12.05722900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   91.84960874
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4O7F
_chemical_formula_sum   'Fe8 O14 F2'
_cell_volume   256.73966246
_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  0.00511400  0.99488600  0.37919900  1.0
  Fe  Fe1  1  0.99488600  0.00511400  0.62080100  1.0
  Fe  Fe2  1  0.99488600  0.00511400  0.87919900  1.0
  Fe  Fe3  1  0.00511400  0.99488600  0.12080100  1.0
  Fe  Fe4  1  0.50000000  0.50000000  0.50000000  1.0
  Fe  Fe5  1  0.50000000  0.50000000  0.00000000  1.0
  Fe  Fe6  1  0.47779300  0.52220700  0.25000000  1.0
  Fe  Fe7  1  0.52220700  0.47779300  0.75000000  1.0
  O  O8  1  0.19537800  0.80462200  0.50328200  1.0
  O  O9  1  0.19537800  0.80462200  0.99671800  1.0
  O  O10  1  0.17860900  0.82139100  0.25000000  1.0
  O  O11  1  0.30284800  0.31168000  0.37489300  1.0
  O  O12  1  0.31168000  0.30284800  0.62510700  1.0
  O  O13  1  0.31168000  0.30284800  0.87489300  1.0
  O  O14  1  0.30284800  0.31168000  0.12510700  1.0
  O  O15  1  0.68832000  0.69715200  0.37489300  1.0
  O  O16  1  0.69715200  0.68832000  0.62510700  1.0
  O  O17  1  0.69715200  0.68832000  0.87489300  1.0
  O  O18  1  0.68832000  0.69715200  0.12510700  1.0
  O  O19  1  0.80462200  0.19537800  0.49671800  1.0
  O  O20  1  0.82139100  0.17860900  0.75000000  1.0
  O  O21  1  0.80462200  0.19537800  0.00328200  1.0
  F  F22  1  0.20402900  0.79597100  0.75000000  1.0
  F  F23  1  0.79597100  0.20402900  0.25000000  1.0