# generated using pymatgen
data_LiFe8(O3F)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97495200
_cell_length_b   6.44453121
_cell_length_c   7.92484164
_cell_angle_alpha   90.06976745
_cell_angle_beta   112.14858670
_cell_angle_gamma   90.00162190
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe8(O3F)4
_chemical_formula_sum   'Li1 Fe8 O12 F4'
_cell_volume   282.63444039
_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  0.53119400  0.75000100  0.24998700  1
  Fe  Fe1  1  0.49343000  0.00998800  0.98799100  1
  Fe  Fe2  1  0.00713400  0.99747900  0.00894800  1
  Fe  Fe3  1  0.77813800  0.50019300  0.05470900  1
  Fe  Fe4  1  0.23336300  0.49277000  0.97399000  1
  Fe  Fe5  1  0.50939700  0.00717900  0.52603100  1
  Fe  Fe6  1  0.97340800  0.99983500  0.44526200  1
  Fe  Fe7  1  0.75536800  0.48998900  0.51202100  1
  Fe  Fe8  1  0.24820700  0.50251900  0.49107600  1
  O  O9  1  0.82838100  0.99553800  0.17346500  1
  O  O10  1  0.50294000  0.31005600  0.99903800  1
  O  O11  1  0.99818900  0.30427300  0.00570400  1
  O  O12  1  0.49996000  0.69487300  0.00847400  1
  O  O13  1  0.75397500  0.18995700  0.50103200  1
  O  O14  1  0.24249500  0.19572400  0.49426400  1
  O  O15  1  0.00569400  0.69104900  0.00808500  1
  O  O16  1  0.16749500  0.00299900  0.84437800  1
  O  O17  1  0.90494500  0.50441100  0.32651600  1
  O  O18  1  0.57301700  0.49711600  0.65557300  1
  O  O19  1  0.74147800  0.80514200  0.49144900  1
  O  O20  1  0.24752600  0.80891700  0.49196300  1
  F  F21  1  0.35818300  0.99826200  0.20757800  1
  F  F22  1  0.65408800  0.99656500  0.80222000  1
  F  F23  1  0.40063500  0.50172700  0.29247500  1
  F  F24  1  0.10177700  0.50343800  0.69777300  1
