# generated using pymatgen
data_Li3Fe4(OF3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92415700
_cell_length_b   5.99293216
_cell_length_c   6.08094926
_cell_angle_alpha   99.71510315
_cell_angle_beta   99.85840489
_cell_angle_gamma   99.62458321
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe4(OF3)3
_chemical_formula_sum   'Li3 Fe4 O3 F9'
_cell_volume   205.33570484
_cell_formula_units_Z   1
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  0.00855900  0.99374800  0.00321700  1
  Li  Li1  1  0.86853600  0.68072300  0.39236400  1
  Li  Li2  1  0.29525800  0.60159400  0.11858900  1
  Fe  Fe3  1  0.66640800  0.40987300  0.84591400  1
  Fe  Fe4  1  0.14180200  0.34077600  0.61734800  1
  Fe  Fe5  1  0.60691600  0.15005900  0.34747300  1
  Fe  Fe6  1  0.39233100  0.86253200  0.68157200  1
  O  O7  1  0.39860900  0.17081700  0.57910100  1
  O  O8  1  0.41784300  0.59175800  0.80627600  1
  O  O9  1  0.81901800  0.40313800  0.58843700  1
  F  F10  1  0.68005100  0.06854300  0.89446000  1
  F  F11  1  0.10455100  0.30594000  0.92784700  1
  F  F12  1  0.93605500  0.10440300  0.31716900  1
  F  F13  1  0.18649300  0.57703800  0.40453600  1
  F  F14  1  0.07055800  0.88138200  0.69047100  1
  F  F15  1  0.57130900  0.39692100  0.17091100  1
  F  F16  1  0.60560600  0.83566200  0.44962100  1
  F  F17  1  0.88856800  0.67094200  0.04724300  1
  F  F18  1  0.34153000  0.95415300  0.11745300  1
