# generated using pymatgen
data_Li2FePO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12417800
_cell_length_b   13.09416000
_cell_length_c   13.10165820
_cell_angle_alpha   60.90651083
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FePO4F
_chemical_formula_sum   'Li16 Fe8 P8 O32 F8'
_cell_volume   768.16376198
_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
  Li  Li0  1  0.73390400  0.34809200  0.82681400  1
  Li  Li1  1  0.73024900  0.57758800  0.59730500  1
  Li  Li2  1  0.23024900  0.42241200  0.90269500  1
  Li  Li3  1  0.72264300  0.85070900  0.32434600  1
  Li  Li4  1  0.23390400  0.65190800  0.67318600  1
  Li  Li5  1  0.27410600  0.92073100  0.17127900  1
  Li  Li6  1  0.77410600  0.07926900  0.32872100  1
  Li  Li7  1  0.77735700  0.85070900  0.82434600  1
  Li  Li8  1  0.22264300  0.14929100  0.17565400  1
  Li  Li9  1  0.22589400  0.92073100  0.67127900  1
  Li  Li10  1  0.72589400  0.07926900  0.82872100  1
  Li  Li11  1  0.76609600  0.34809200  0.32681400  1
  Li  Li12  1  0.27735700  0.14929100  0.67565400  1
  Li  Li13  1  0.76975100  0.57758800  0.09730500  1
  Li  Li14  1  0.26975100  0.42241200  0.40269500  1
  Li  Li15  1  0.26609600  0.65190800  0.17318600  1
  Fe  Fe16  1  0.27519100  0.42221900  0.67308500  1
  Fe  Fe17  1  0.77519100  0.57778100  0.82691500  1
  Fe  Fe18  1  0.22778100  0.92374400  0.40280200  1
  Fe  Fe19  1  0.72778100  0.07625600  0.09719800  1
  Fe  Fe20  1  0.27221900  0.92374400  0.90280200  1
  Fe  Fe21  1  0.77221900  0.07625600  0.59719800  1
  Fe  Fe22  1  0.22480900  0.42221900  0.17308500  1
  Fe  Fe23  1  0.72480900  0.57778100  0.32691500  1
  P  P24  1  0.21705800  0.16553500  0.91918000  1
  P  P25  1  0.21355800  0.66657200  0.41764000  1
  P  P26  1  0.28644200  0.66657200  0.91764000  1
  P  P27  1  0.71705800  0.83446500  0.58082000  1
  P  P28  1  0.28294200  0.16553500  0.41918000  1
  P  P29  1  0.71355800  0.33342800  0.08236000  1
  P  P30  1  0.78644200  0.33342800  0.58236000  1
  P  P31  1  0.78294200  0.83446500  0.08082000  1
  O  O32  1  0.91101600  0.15579500  0.92506400  1
  O  O33  1  0.66762100  0.39452200  0.64782700  1
  O  O34  1  0.30096700  0.29541900  0.85335200  1
  O  O35  1  0.90805700  0.66126800  0.41299200  1
  O  O36  1  0.30744500  0.60409200  0.54619400  1
  O  O37  1  0.80744500  0.39590800  0.95380600  1
  O  O38  1  0.31148400  0.79496400  0.35792800  1
  O  O39  1  0.67073700  0.89777900  0.14591100  1
  O  O40  1  0.80096700  0.70458100  0.64664800  1
  O  O41  1  0.16762100  0.60547800  0.85217300  1
  O  O42  1  0.59194300  0.66126800  0.91299200  1
  O  O43  1  0.82909500  0.89174700  0.45514600  1
  O  O44  1  0.41101600  0.84420500  0.57493600  1
  O  O45  1  0.32909500  0.10825300  0.04485400  1
  O  O46  1  0.18851600  0.79496400  0.85792800  1
  O  O47  1  0.82926300  0.89777900  0.64591100  1
  O  O48  1  0.17073700  0.10222100  0.35408900  1
  O  O49  1  0.81148400  0.20503600  0.14207200  1
  O  O50  1  0.67090500  0.89174700  0.95514600  1
  O  O51  1  0.58898400  0.15579500  0.42506400  1
  O  O52  1  0.17090500  0.10825300  0.54485400  1
  O  O53  1  0.40805700  0.33873200  0.08700800  1
  O  O54  1  0.83237900  0.39452200  0.14782700  1
  O  O55  1  0.19903300  0.29541900  0.35335200  1
  O  O56  1  0.32926300  0.10222100  0.85408900  1
  O  O57  1  0.68851600  0.20503600  0.64207200  1
  O  O58  1  0.19255500  0.60409200  0.04619400  1
  O  O59  1  0.69255500  0.39590800  0.45380600  1
  O  O60  1  0.09194300  0.33873200  0.58700800  1
  O  O61  1  0.69903300  0.70458100  0.14664800  1
  O  O62  1  0.33237900  0.60547800  0.35217300  1
  O  O63  1  0.08898400  0.84420500  0.07493600  1
  F  F64  1  0.98689200  0.48933700  0.73615900  1
  F  F65  1  0.48689200  0.51066300  0.76384100  1
  F  F66  1  0.02031000  0.98962900  0.23235200  1
  F  F67  1  0.52031000  0.01037100  0.26764800  1
  F  F68  1  0.47969000  0.98962900  0.73235200  1
  F  F69  1  0.97969000  0.01037100  0.76764800  1
  F  F70  1  0.51310800  0.48933700  0.23615900  1
  F  F71  1  0.01310800  0.51066300  0.26384100  1
