# generated using pymatgen
data_Li4Fe3(OF3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27125672
_cell_length_b   5.30938062
_cell_length_c   11.75213557
_cell_angle_alpha   98.67445654
_cell_angle_beta   93.63557795
_cell_angle_gamma   79.69917938
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Fe3(OF3)2
_chemical_formula_sum   'Li8 Fe6 O4 F12'
_cell_volume   319.68082129
_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  0.98558800  0.98246300  0.99884300  1
  Li  Li1  1  0.98480200  0.48181700  0.49883700  1
  Li  Li2  1  0.51520900  0.39319100  0.37613400  1
  Li  Li3  1  0.51450300  0.89252500  0.87617000  1
  Li  Li4  1  0.47584700  0.11561900  0.11642300  1
  Li  Li5  1  0.47585600  0.61718100  0.61646400  1
  Li  Li6  1  0.02421300  0.25793200  0.25852700  1
  Li  Li7  1  0.02419900  0.75937200  0.75857600  1
  Fe  Fe8  1  0.25009600  0.93742800  0.43749500  1
  Fe  Fe9  1  0.74880100  0.04729200  0.55830200  1
  Fe  Fe10  1  0.75122300  0.82779900  0.31671300  1
  Fe  Fe11  1  0.24995200  0.43750400  0.93749900  1
  Fe  Fe12  1  0.74889900  0.54650000  0.05796800  1
  Fe  Fe13  1  0.75104800  0.32847400  0.81707300  1
  O  O14  1  0.60305400  0.74063500  0.47108600  1
  O  O15  1  0.60262900  0.24056400  0.97114900  1
  O  O16  1  0.89713300  0.13414600  0.40392700  1
  O  O17  1  0.89728200  0.63451800  0.90386600  1
  F  F18  1  0.11159000  0.30049600  0.09494000  1
  F  F19  1  0.11029700  0.79987800  0.59470100  1
  F  F20  1  0.38960900  0.07507700  0.28021900  1
  F  F21  1  0.38842000  0.57450200  0.78002400  1
  F  F22  1  0.37845900  0.79573000  0.02231500  1
  F  F23  1  0.37927200  0.29590000  0.52263300  1
  F  F24  1  0.12075400  0.57902400  0.35241200  1
  F  F25  1  0.12144100  0.07923800  0.85268300  1
  F  F26  1  0.66453700  0.47817100  0.22845600  1
  F  F27  1  0.66254700  0.97948300  0.72892500  1
  F  F28  1  0.83742400  0.89551800  0.14606000  1
  F  F29  1  0.83531600  0.39702300  0.64658000  1
