# generated using pymatgen
data_FePO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36020200
_cell_length_b   5.35585094
_cell_length_c   7.43280874
_cell_angle_alpha   109.84143419
_cell_angle_beta   107.49828089
_cell_angle_gamma   96.06241549
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FePO4F
_chemical_formula_sum   'Fe2 P2 O8 F2'
_cell_volume   186.22944257
_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  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe1  1  0.50000000  0.50000000  0.50000000  1.0
  P  P2  1  0.90720500  0.58749400  0.76132700  1.0
  P  P3  1  0.09279500  0.41250600  0.23867300  1.0
  O  O4  1  0.04679900  0.59076300  0.10999500  1.0
  O  O5  1  0.53880700  0.64948500  0.09909800  1.0
  O  O6  1  0.86526600  0.39552300  0.39615100  1.0
  O  O7  1  0.93798800  0.99728800  0.34760500  1.0
  O  O8  1  0.46119300  0.35051500  0.90090200  1.0
  O  O9  1  0.13473400  0.60447700  0.60384900  1.0
  O  O10  1  0.06201200  0.00271200  0.65239500  1.0
  O  O11  1  0.95320100  0.40923700  0.89000500  1.0
  F  F12  1  0.63172200  0.79226200  0.26362300  1.0
  F  F13  1  0.36827800  0.20773800  0.73637700  1.0