# generated using pymatgen
data_LiFe8(O3F)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98595701
_cell_length_b   6.44080371
_cell_length_c   7.92004968
_cell_angle_alpha   90.11048277
_cell_angle_beta   112.15547025
_cell_angle_gamma   89.84687179
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe8(O3F)4
_chemical_formula_sum   'Li1 Fe8 O12 F4'
_cell_volume   282.80538500
_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  0.46143300  0.73715000  0.75203000  1
  Fe  Fe1  1  0.50542900  0.00846500  0.02223400  1
  Fe  Fe2  1  0.00170400  0.99762000  0.00163700  1
  Fe  Fe3  1  0.78100400  0.49573600  0.06006400  1
  Fe  Fe4  1  0.24046200  0.49904100  0.98782600  1
  Fe  Fe5  1  0.50460600  0.00905000  0.49784100  1
  Fe  Fe6  1  0.97495200  0.99908700  0.44658900  1
  Fe  Fe7  1  0.74843000  0.50426300  0.50014000  1
  Fe  Fe8  1  0.24433900  0.49298700  0.47758200  1
  O  O9  1  0.84172400  0.00010200  0.17821000  1
  O  O10  1  0.50639800  0.30897800  0.00947900  1
  O  O11  1  0.99948600  0.30442400  0.00488900  1
  O  O12  1  0.50584700  0.69376100  0.00048000  1
  O  O13  1  0.75203900  0.19726800  0.49371700  1
  O  O14  1  0.24277900  0.19248500  0.48802100  1
  O  O15  1  0.99472400  0.69086500  0.00335700  1
  O  O16  1  0.18494500  0.99572800  0.85417600  1
  O  O17  1  0.90930300  0.50380000  0.32480200  1
  O  O18  1  0.56593500  0.50323300  0.64984900  1
  O  O19  1  0.74919700  0.81039700  0.49580500  1
  O  O20  1  0.25399800  0.80701700  0.50217700  1
  F  F21  1  0.35291600  0.99773400  0.21249700  1
  F  F22  1  0.64587500  0.99085100  0.80129100  1
  F  F23  1  0.39642400  0.50264100  0.28727900  1
  F  F24  1  0.10480000  0.50731800  0.69802700  1
