# generated using pymatgen
data_Fe5(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63952997
_cell_length_b   4.63952997
_cell_length_c   15.14319944
_cell_angle_alpha   89.82431987
_cell_angle_beta   89.82431987
_cell_angle_gamma   90.02843270
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5(O4F)2
_chemical_formula_sum   'Fe10 O16 F4'
_cell_volume   325.95787056
_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  0.00434500  0.98949400  0.70524100  1.0
  Fe  Fe1  1  0.02363200  0.02046100  0.90109500  1.0
  Fe  Fe2  1  0.97953900  0.97636800  0.09890500  1.0
  Fe  Fe3  1  0.01050600  0.99565500  0.29475900  1.0
  Fe  Fe4  1  0.01611800  0.98388200  0.50000000  1.0
  Fe  Fe5  1  0.49497400  0.48926300  0.79478200  1.0
  Fe  Fe6  1  0.51073700  0.50502600  0.20521800  1.0
  Fe  Fe7  1  0.50158200  0.49841800  0.00000000  1.0
  Fe  Fe8  1  0.48499900  0.51752800  0.40077700  1.0
  Fe  Fe9  1  0.48247200  0.51500100  0.59922300  1.0
  O  O10  1  0.20384800  0.80698800  0.80441300  1.0
  O  O11  1  0.19548000  0.80452000  0.00000000  1.0
  O  O12  1  0.19301200  0.79615200  0.19558700  1.0
  O  O13  1  0.18796800  0.81900200  0.39657100  1.0
  O  O14  1  0.18099800  0.81203200  0.60342900  1.0
  O  O15  1  0.69032400  0.69146400  0.69782000  1.0
  O  O16  1  0.68260200  0.67568100  0.09966200  1.0
  O  O17  1  0.69709000  0.69885400  0.30449200  1.0
  O  O18  1  0.68726300  0.69782600  0.50016100  1.0
  O  O19  1  0.30114600  0.30291000  0.69550800  1.0
  O  O20  1  0.32431900  0.31739800  0.90033800  1.0
  O  O21  1  0.30853600  0.30967600  0.30218000  1.0
  O  O22  1  0.30217400  0.31273700  0.49983900  1.0
  O  O23  1  0.81432000  0.19313800  0.80117600  1.0
  O  O24  1  0.80686200  0.18568000  0.19882400  1.0
  O  O25  1  0.80827300  0.19172700  0.00000000  1.0
  F  F26  1  0.70710000  0.70119400  0.89880200  1.0
  F  F27  1  0.29880600  0.29290000  0.10119800  1.0
  F  F28  1  0.79836800  0.19739200  0.59862300  1.0
  F  F29  1  0.80260800  0.20163200  0.40137700  1.0