# generated using pymatgen
data_LiFe2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22980600
_cell_length_b   6.27804002
_cell_length_c   8.62666461
_cell_angle_alpha   91.05598765
_cell_angle_beta   90.03994323
_cell_angle_gamma   90.19677427
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2OF3
_chemical_formula_sum   'Li4 Fe8 O4 F12'
_cell_volume   337.33784385
_cell_formula_units_Z   4
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  0.75203300  0.99299600  0.98229600  1
  Li  Li1  1  0.26891700  0.98907500  0.50555700  1
  Li  Li2  1  0.49835400  0.25354500  0.74841500  1
  Li  Li3  1  0.00066000  0.25936500  0.74627000  1
  Fe  Fe4  1  0.00594100  0.75061400  0.23616300  1
  Fe  Fe5  1  0.50668300  0.74555700  0.27203900  1
  Fe  Fe6  1  0.73073000  0.76033000  0.63854100  1
  Fe  Fe7  1  0.21372000  0.77584600  0.87251400  1
  Fe  Fe8  1  0.75306000  0.50586300  0.99947100  1
  Fe  Fe9  1  0.26231300  0.50730100  0.50957900  1
  Fe  Fe10  1  0.74731800  0.28752900  0.37001200  1
  Fe  Fe11  1  0.24399500  0.17864500  0.12123200  1
  O  O12  1  0.26169900  0.94663900  0.25879500  1
  O  O13  1  0.47549500  0.73433900  0.51559700  1
  O  O14  1  0.96093000  0.75152900  0.99419700  1
  O  O15  1  0.75448400  0.54012900  0.24580800  1
  F  F16  1  0.76123000  0.00828100  0.24794500  1
  F  F17  1  0.51094400  0.75927800  0.98591000  1
  F  F18  1  0.01421200  0.75315800  0.50952600  1
  F  F19  1  0.25305100  0.47774500  0.23949500  1
  F  F20  1  0.74676000  0.46822500  0.75099800  1
  F  F21  1  0.24756100  0.47789100  0.75622200  1
  F  F22  1  0.02741300  0.27370000  0.50437300  1
  F  F23  1  0.98208900  0.23977800  0.98940600  1
  F  F24  1  0.52268300  0.24622300  0.99239500  1
  F  F25  1  0.48938900  0.24084600  0.50882200  1
  F  F26  1  0.75897100  0.03637700  0.75165400  1
  F  F27  1  0.24936500  0.03919500  0.74677000  1
