# generated using pymatgen
data_FePO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33096600
_cell_length_b   10.85188200
_cell_length_c   12.80399700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FePO4F
_chemical_formula_sum   'Fe8 P8 O32 F8'
_cell_volume   879.67167399
_cell_formula_units_Z   8
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  0.75000000  0.75000000  0.86220000  1.0
  Fe  Fe1  1  0.00000000  0.50000000  0.00000000  1.0
  Fe  Fe2  1  0.50000000  0.00000000  0.00000000  1.0
  Fe  Fe3  1  0.25000000  0.25000000  0.13780000  1.0
  Fe  Fe4  1  0.25000000  0.75000000  0.36220000  1.0
  Fe  Fe5  1  0.00000000  0.50000000  0.50000000  1.0
  Fe  Fe6  1  0.50000000  0.00000000  0.50000000  1.0
  Fe  Fe7  1  0.75000000  0.25000000  0.63780000  1.0
  P  P8  1  0.58345100  0.00000000  0.75000000  1.0
  P  P9  1  0.25000000  0.75000000  0.93606100  1.0
  P  P10  1  0.75000000  0.25000000  0.06393900  1.0
  P  P11  1  0.08345100  0.50000000  0.25000000  1.0
  P  P12  1  0.41654900  0.00000000  0.25000000  1.0
  P  P13  1  0.75000000  0.75000000  0.43606100  1.0
  P  P14  1  0.25000000  0.25000000  0.56393900  1.0
  P  P15  1  0.91654900  0.50000000  0.75000000  1.0
  O  O16  1  0.77144500  0.61536800  0.75747800  1.0
  O  O17  1  0.72855500  0.88463200  0.75747800  1.0
  O  O18  1  0.05653100  0.48535400  0.84661900  1.0
  O  O19  1  0.44346900  0.01464600  0.84661900  1.0
  O  O20  1  0.05989400  0.77565400  0.86334000  1.0
  O  O21  1  0.44010600  0.72434600  0.86334000  1.0
  O  O22  1  0.70785800  0.13700400  0.99262000  1.0
  O  O23  1  0.79214200  0.36299600  0.99262000  1.0
  O  O24  1  0.29214200  0.86299600  0.00738000  1.0
  O  O25  1  0.20785800  0.63700400  0.00738000  1.0
  O  O26  1  0.94010600  0.22434600  0.13666000  1.0
  O  O27  1  0.55989400  0.27565400  0.13666000  1.0
  O  O28  1  0.94346900  0.51464600  0.15338100  1.0
  O  O29  1  0.55653100  0.98535400  0.15338100  1.0
  O  O30  1  0.22855500  0.38463200  0.24252200  1.0
  O  O31  1  0.27144500  0.11536800  0.24252200  1.0
  O  O32  1  0.22855500  0.61536800  0.25747800  1.0
  O  O33  1  0.27144500  0.88463200  0.25747800  1.0
  O  O34  1  0.94346900  0.48535400  0.34661900  1.0
  O  O35  1  0.55653100  0.01464600  0.34661900  1.0
  O  O36  1  0.94010600  0.77565400  0.36334000  1.0
  O  O37  1  0.55989400  0.72434600  0.36334000  1.0
  O  O38  1  0.29214200  0.13700400  0.49262000  1.0
  O  O39  1  0.20785800  0.36299600  0.49262000  1.0
  O  O40  1  0.70785800  0.86299600  0.50738000  1.0
  O  O41  1  0.79214200  0.63700400  0.50738000  1.0
  O  O42  1  0.05989400  0.22434600  0.63666000  1.0
  O  O43  1  0.44010600  0.27565400  0.63666000  1.0
  O  O44  1  0.05653100  0.51464600  0.65338100  1.0
  O  O45  1  0.44346900  0.98535400  0.65338100  1.0
  O  O46  1  0.77144500  0.38463200  0.74252200  1.0
  O  O47  1  0.72855500  0.11536800  0.74252200  1.0
  F  F48  1  0.72246400  0.87621600  0.97419900  1.0
  F  F49  1  0.77753600  0.62378400  0.97419900  1.0
  F  F50  1  0.27753600  0.12378400  0.02580100  1.0
  F  F51  1  0.22246400  0.37621600  0.02580100  1.0
  F  F52  1  0.27753600  0.87621600  0.47419900  1.0
  F  F53  1  0.22246400  0.62378400  0.47419900  1.0
  F  F54  1  0.72246400  0.12378400  0.52580100  1.0
  F  F55  1  0.77753600  0.37621600  0.52580100  1.0