# generated using pymatgen
data_Li3Fe2P2(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.01962895
_cell_length_b   7.95392808
_cell_length_c   7.41540297
_cell_angle_alpha   90.25690643
_cell_angle_beta   63.43778043
_cell_angle_gamma   88.00081212
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe2P2(O4F)2
_chemical_formula_sum   'Li6 Fe4 P4 O16 F4'
_cell_volume   370.00895376
_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
  Li  Li0  1  0.74988200  0.24980200  0.50009600  1
  Li  Li1  1  0.25011100  0.75016800  0.49990300  1
  Li  Li2  1  0.41661900  0.16959500  0.84610400  1
  Li  Li3  1  0.91658700  0.66963900  0.84604300  1
  Li  Li4  1  0.58338600  0.83039900  0.15387800  1
  Li  Li5  1  0.08337400  0.33036500  0.15397600  1
  Fe  Fe6  1  0.50000000  0.50000100  0.00003400  1
  Fe  Fe7  1  0.00006500  0.00004600  0.50008000  1
  Fe  Fe8  1  0.99998600  0.00000700  0.99998600  1
  Fe  Fe9  1  0.50009500  0.49993100  0.49989200  1
  P  P10  1  0.48858300  0.15093600  0.23992800  1
  P  P11  1  0.98849100  0.65101500  0.23996900  1
  P  P12  1  0.51141400  0.84903800  0.76004500  1
  P  P13  1  0.01151100  0.34903500  0.76003900  1
  O  O14  1  0.39647400  0.26850500  0.12348100  1
  O  O15  1  0.89642900  0.76848200  0.12339700  1
  O  O16  1  0.60350500  0.73147700  0.87652700  1
  O  O17  1  0.10356200  0.23153400  0.87658900  1
  O  O18  1  0.53057300  0.25414600  0.39230900  1
  O  O19  1  0.03045200  0.75435700  0.39229300  1
  O  O20  1  0.46942300  0.74581100  0.60767800  1
  O  O21  1  0.96951300  0.24570800  0.60772600  1
  O  O22  1  0.33821200  0.00472600  0.33782700  1
  O  O23  1  0.83803100  0.50485300  0.33796000  1
  O  O24  1  0.66180500  0.99526100  0.66216900  1
  O  O25  1  0.16197900  0.49517100  0.66202600  1
  O  O26  1  0.69843900  0.06052400  0.07831500  1
  O  O27  1  0.19834800  0.56049100  0.07851100  1
  O  O28  1  0.30153900  0.93946400  0.92164100  1
  O  O29  1  0.80164700  0.43952300  0.92153900  1
  F  F30  1  0.53256800  0.38408500  0.74443700  1
  F  F31  1  0.03256800  0.88408300  0.74442500  1
  F  F32  1  0.46740700  0.61592700  0.25558200  1
  F  F33  1  0.96742000  0.11589300  0.25559900  1
