# generated using pymatgen
data_Fe5(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66042000
_cell_length_b   5.54888100
_cell_length_c   12.93551283
_cell_angle_alpha   78.23086893
_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   327.48151835
_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  0.00235600  0.15958500  0.40247800  1.0
  Fe  Fe1  1  0.97280200  0.75510300  0.99376600  1.0
  Fe  Fe2  1  0.97706800  0.96504400  0.19600400  1.0
  Fe  Fe3  1  0.01411600  0.56177400  0.79555200  1.0
  Fe  Fe4  1  0.02782300  0.35849500  0.59841000  1.0
  Fe  Fe5  1  0.47280200  0.24489700  0.00623400  1.0
  Fe  Fe6  1  0.50235600  0.84041500  0.59752200  1.0
  Fe  Fe7  1  0.51411600  0.43822600  0.20444800  1.0
  Fe  Fe8  1  0.47706800  0.03495600  0.80399600  1.0
  Fe  Fe9  1  0.52782300  0.64150500  0.40159000  1.0
  O  O10  1  0.29704100  0.19874900  0.14514600  1.0
  O  O11  1  0.31931100  0.59773700  0.53076100  1.0
  O  O12  1  0.31041200  0.79515200  0.73286700  1.0
  O  O13  1  0.31908900  0.39782700  0.34078800  1.0
  O  O14  1  0.29203200  0.99499600  0.94176300  1.0
  O  O15  1  0.18329400  0.49667000  0.93597600  1.0
  O  O16  1  0.19658300  0.29511600  0.73766900  1.0
  O  O17  1  0.19941800  0.09386000  0.54203000  1.0
  O  O18  1  0.79203200  0.00500400  0.05823700  1.0
  O  O19  1  0.81908900  0.60217300  0.65921200  1.0
  O  O20  1  0.81041200  0.20484800  0.26713300  1.0
  O  O21  1  0.81931100  0.40226300  0.46923900  1.0
  O  O22  1  0.79704100  0.80125100  0.85485400  1.0
  O  O23  1  0.69658300  0.70488400  0.26233100  1.0
  O  O24  1  0.69941800  0.90614000  0.45797000  1.0
  O  O25  1  0.68329400  0.50333000  0.06402400  1.0
  F  F26  1  0.19860100  0.89181200  0.33849600  1.0
  F  F27  1  0.19005600  0.69527500  0.14008200  1.0
  F  F28  1  0.69005600  0.30472500  0.85991800  1.0
  F  F29  1  0.69860100  0.10818800  0.66150400  1.0