# generated using pymatgen
data_Li2FePO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.50756200
_cell_length_b   10.66171700
_cell_length_c   11.08516800
_cell_angle_alpha   90.00000000
_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   769.10873626
_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  0.75000000  0.02612700  0.27209400  1
  Li  Li1  1  0.25000000  0.23020600  0.08341200  1
  Li  Li2  1  0.51003200  0.24066100  0.33367800  1
  Li  Li3  1  0.98996800  0.24066100  0.33367800  1
  Li  Li4  1  0.01003200  0.25933900  0.83367800  1
  Li  Li5  1  0.48996800  0.25933900  0.83367800  1
  Li  Li6  1  0.75000000  0.26979400  0.58341200  1
  Li  Li7  1  0.25000000  0.47387300  0.77209400  1
  Li  Li8  1  0.75000000  0.52612700  0.22790600  1
  Li  Li9  1  0.25000000  0.73020600  0.41658800  1
  Li  Li10  1  0.51003200  0.74066100  0.16632200  1
  Li  Li11  1  0.98996800  0.74066100  0.16632200  1
  Li  Li12  1  0.01003200  0.75933900  0.66632200  1
  Li  Li13  1  0.48996800  0.75933900  0.66632200  1
  Li  Li14  1  0.75000000  0.76979400  0.91658800  1
  Li  Li15  1  0.25000000  0.97387300  0.72790600  1
  Fe  Fe16  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe17  1  0.50000000  0.00000000  0.00000000  1
  Fe  Fe18  1  0.00000000  0.00000000  0.50000000  1
  Fe  Fe19  1  0.50000000  0.00000000  0.50000000  1
  Fe  Fe20  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe21  1  0.50000000  0.50000000  0.50000000  1
  Fe  Fe22  1  0.00000000  0.50000000  0.00000000  1
  Fe  Fe23  1  0.50000000  0.50000000  0.00000000  1
  P  P24  1  0.75000000  0.02171100  0.74472000  1
  P  P25  1  0.75000000  0.24375200  0.07993400  1
  P  P26  1  0.25000000  0.25624800  0.57993400  1
  P  P27  1  0.25000000  0.47828900  0.24472000  1
  P  P28  1  0.75000000  0.52171100  0.75528000  1
  P  P29  1  0.75000000  0.74375200  0.42006600  1
  P  P30  1  0.25000000  0.75624800  0.92006600  1
  P  P31  1  0.25000000  0.97828900  0.25528000  1
  O  O32  1  0.25000000  0.02932200  0.12342900  1
  O  O33  1  0.05631900  0.03331600  0.31931100  1
  O  O34  1  0.44368100  0.03331600  0.31931100  1
  O  O35  1  0.25000000  0.11160800  0.55771900  1
  O  O36  1  0.75000000  0.16788800  0.74440400  1
  O  O37  1  0.55397500  0.19049800  0.01659200  1
  O  O38  1  0.94602500  0.19049800  0.01659200  1
  O  O39  1  0.75000000  0.21574800  0.21642900  1
  O  O40  1  0.25000000  0.28425200  0.71642900  1
  O  O41  1  0.05397500  0.30950200  0.51659200  1
  O  O42  1  0.44602500  0.30950200  0.51659200  1
  O  O43  1  0.25000000  0.33211200  0.24440400  1
  O  O44  1  0.75000000  0.38839200  0.05771900  1
  O  O45  1  0.55631900  0.46668400  0.81931100  1
  O  O46  1  0.94368100  0.46668400  0.81931100  1
  O  O47  1  0.75000000  0.47067800  0.62342900  1
  O  O48  1  0.25000000  0.52932200  0.37657100  1
  O  O49  1  0.05631900  0.53331600  0.18068900  1
  O  O50  1  0.44368100  0.53331600  0.18068900  1
  O  O51  1  0.25000000  0.61160800  0.94228100  1
  O  O52  1  0.75000000  0.66788800  0.75559600  1
  O  O53  1  0.55397500  0.69049800  0.48340800  1
  O  O54  1  0.94602500  0.69049800  0.48340800  1
  O  O55  1  0.75000000  0.71574800  0.28357100  1
  O  O56  1  0.25000000  0.78425200  0.78357100  1
  O  O57  1  0.05397500  0.80950200  0.98340800  1
  O  O58  1  0.44602500  0.80950200  0.98340800  1
  O  O59  1  0.25000000  0.83211200  0.25559600  1
  O  O60  1  0.75000000  0.88839200  0.44228100  1
  O  O61  1  0.55631900  0.96668400  0.68068900  1
  O  O62  1  0.94368100  0.96668400  0.68068900  1
  O  O63  1  0.75000000  0.97067800  0.87657100  1
  F  F64  1  0.25000000  0.05378400  0.87919700  1
  F  F65  1  0.75000000  0.13437200  0.46716700  1
  F  F66  1  0.25000000  0.36562800  0.96716700  1
  F  F67  1  0.75000000  0.44621600  0.37919700  1
  F  F68  1  0.25000000  0.55378400  0.62080300  1
  F  F69  1  0.75000000  0.63437200  0.03283300  1
  F  F70  1  0.25000000  0.86562800  0.53283300  1
  F  F71  1  0.75000000  0.94621600  0.12080300  1
